4-[(E)-[4-methoxycarbonyl-5-methyl-1-(3-methylphenyl)-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[4-methoxycarbonyl-5-methyl-1-(3-methylphenyl)-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[4-methoxycarbonyl-5-methyl-1-(m-tolyl)-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[4-methoxycarbonyl-5-methyl-1-(3-methylphenyl)-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[4-methoxycarbonyl-5-methyl-1-(3-methylphenyl)-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[4-carbomethoxy-2-keto-5-methyl-1-(m-tolyl)-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5/c1-13-5-4-6-17(11-13)23-14(2)19(22(27)28-3)18(20(23)24)12-15-7-9-16(10-8-15)21(25)26/h4-12H,1-3H3,(H,25,26)/b18-12+