3-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-1H-indole-5-carboxylic acid CAS Name: 3-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]-1H-indole-5-carboxylic acid Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CNC3=C2C=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C\C2=CNC3=C2C=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C19H13N3O3/c20-10-13(18(23)22-15-4-2-1-3-5-15)8-14-11-21-17-7-6-12(19(24)25)9-16(14)17/h1-9,11,21H,(H,22,23)(H,24,25)/b13-8-