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

Systemtic Name: 4-[(Z)-[1-(3,4-dimethoxyphenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[1-(3,4-dimethoxyphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[1-(3,4-dimethoxyphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[1-(3,4-dimethoxyphenyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[4-carbomethoxy-1-(3,4-dimethoxyphenyl)-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C23H21NO7 MolecularWeight: 423.41534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC(=C(C=C3)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)N1C3=CC(=C(C=C3)OC)OC)C(=O)OC

InChI

InChI=1S/C23H21NO7/c1-13-20(23(28)31-4)17(11-14-5-7-15(8-6-14)22(26)27)21(25)24(13)16-9-10-18(29-2)19(12-16)30-3/h5-12H,1-4H3,(H,26,27)/b17-11-