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

Systemtic Name: 3-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[(Z)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-1H-indole-5-carboxylic acid CAS Name: 3-[(Z)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[(Z)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-1H-indole-5-carboxylic acid Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O3/c21-10-15(19(24)23-11-13-4-2-1-3-5-13)8-16-12-22-18-7-6-14(20(25)26)9-17(16)18/h1-9,12,22H,11H2,(H,23,24)(H,25,26)/b15-8-