2-[3-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate Openeye Name: 2-[3-[(E)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetate IUPAC Name: 2-[3-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetate Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]indol-1-yl]acetate Formula: C21H16N3O3- MolecularWeight: 358.37004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)[O-])C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)[O-])/C#N

InChI

InChI=1S/C21H17N3O3/c1-14-5-4-6-17(9-14)23-21(27)15(11-22)10-16-12-24(13-20(25)26)19-8-3-2-7-18(16)19/h2-10,12H,13H2,1H3,(H,23,27)(H,25,26)/p-1/b15-10+