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

Systemtic Name: methyl 2-[3-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate Openeye Name: methyl 2-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetate Traditional Name: 2-[3-[(Z)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]indol-1-yl]acetic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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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)OC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)OC)/C#N

InChI

InChI=1S/C22H19N3O3/c1-15-6-5-7-18(10-15)24-22(27)16(12-23)11-17-13-25(14-21(26)28-2)20-9-4-3-8-19(17)20/h3-11,13H,14H2,1-2H3,(H,24,27)/b16-11-