4-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-2,4-diethoxy-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-2,4-diethoxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-[(Z)-3-anilino-2-cyano-allyl]-2,4-diethoxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,4-diethoxy-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,4-diethoxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-[(Z)-3-anilino-2-cyano-allyl]-2,4-diethoxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(C=CC1C(=O)O)(CC(=CNC2=CC=CC=C2)C#N)OCC

Isomeric SMILES

CCOC1=CC(C=CC1C(=O)O)(C/C(=C/NC2=CC=CC=C2)/C#N)OCC

InChI

InChI=1S/C21H24N2O4/c1-3-26-19-13-21(27-4-2,11-10-18(19)20(24)25)12-16(14-22)15-23-17-8-6-5-7-9-17/h5-11,13,15,18,23H,3-4,12H2,1-2H3,(H,24,25)/b16-15-