4-[(Z)-[1-(3,4-dimethylphenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[1-(3,4-dimethylphenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[1-(3,4-dimethylphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[1-(3,4-dimethylphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[1-(3,4-dimethylphenyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[4-carbomethoxy-1-(3,4-dimethylphenyl)-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=CC3=CC=C(C=C3)C(=O)O)C2=O)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(/C(=C/C3=CC=C(C=C3)C(=O)O)/C2=O)C(=O)OC)C)C

InChI

InChI=1S/C23H21NO5/c1-13-5-10-18(11-14(13)2)24-15(3)20(23(28)29-4)19(21(24)25)12-16-6-8-17(9-7-16)22(26)27/h5-12H,1-4H3,(H,26,27)/b19-12-