4-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C17H12N2O3 MolecularWeight: 292.28878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C17H12N2O3/c18-11-14(16(20)19-15-4-2-1-3-5-15)10-12-6-8-13(9-7-12)17(21)22/h1-10H,(H,19,20)(H,21,22)/b14-10-