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Predicted properties of the compound entered.

ID PRNBKTKJGKQGSG-ZCXUNETKSA-N
Formula C21H17N5O4
IUPAC Name N-[(1Z)-1-[cyano(propylcarbamoyl)methylidene]-1H-isoindol-3-yl]-3-nitrobenzamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C21H17N5O4/c1-2-10-23-21(28)17(12-22)18-15-8-3-4-9-16(15)19(24-18)25-20(27)13-6-5-7-14(11-13)26(29)30/h3-9,11H,2,10H2,1H3,(H,23,28)(H,24,25,27)/b18-17-
Standard InChIKey (User Input) InChIKey=PRNBKTKJGKQGSG-ZCXUNETKSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers N-[3-(1-cyano-2-oxo-2-propylaminoethylidene)isoindol-1-yl]-3-nitrobenzamide | N-[(3Z)-3-(1-cyano-2-oxo-2-propylaminoethylidene)isoindol-1-yl]-3-nitrobenzamide | N-[3-(1-cyano-2-oxo-2-propylamino-ethylidene)isoindol-1-yl]-3-nitro-benzamide | N-[(3Z)-3-(1-cyano-2-oxo-2-propylamino-ethylidene)isoindol-1-yl]-3-nitro-benzamide | N-[3-(1-cyano-2-oxo-2-propylaminoethylidene)-1-isoindolyl]-3-nitrobenzamide | N-[(3Z)-3-(1-cyano-2-oxo-2-propylaminoethylidene)-1-isoindolyl]-3-nitrobenzamide | N-[3-(1-cyano-2-keto-2-propylamino-ethylidene)isoindol-1-yl]-3-nitro-benzamide | N-[(3Z)-3-(1-cyano-2-keto-2-propylamino-ethylidene)isoindol-1-yl]-3-nitro-benzamide | ZINC05322618
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -