4-[3-[(Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate

Systemtic Name: 4-[3-[(Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Openeye Name: 4-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate CAS Name: 4-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoate IUPAC Name: 4-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate Traditional Name: 4-[3-[(Z)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Formula: C25H22N3O3- MolecularWeight: 412.46048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)C3=C(C=C(C=C3)C(=O)[O-])C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=C(C=C(C=C3)C(=O)[O-])C)C)/C#N

InChI

InChI=1S/C25H23N3O3/c1-15-7-5-6-8-22(15)27-24(29)21(14-26)13-20-12-17(3)28(18(20)4)23-10-9-19(25(30)31)11-16(23)2/h5-13H,1-4H3,(H,27,29)(H,30,31)/p-1/b21-13-