methyl 3-[3-[2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 3-[3-[2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-[3-[2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)OC)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)OC)C)C#N

InChI

InChI=1S/C25H23N3O3/c1-16-7-5-9-22(11-16)27-24(29)21(15-26)13-20-12-17(2)28(18(20)3)23-10-6-8-19(14-23)25(30)31-4/h5-14H,1-4H3,(H,27,29)