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

Systemtic Name: 3-[3-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: 3-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoate IUPAC Name: 3-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(Z)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Formula: C25H22N3O3- MolecularWeight: 412.46048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3C)C(=O)[O-])C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=CC(=C3C)C(=O)[O-])C)/C#N

InChI

InChI=1S/C25H23N3O3/c1-15-7-5-8-21(11-15)27-24(29)20(14-26)13-19-12-16(2)28(18(19)4)23-10-6-9-22(17(23)3)25(30)31/h5-13H,1-4H3,(H,27,29)(H,30,31)/p-1/b20-13-