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

Systemtic Name: 4-[(Z)-[1-(3-chloranyl-4-methyl-phenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[1-(3-chloro-4-methyl-phenyl)-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[1-(3-chloro-4-methylphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[1-(3-chloro-4-methylphenyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[4-carbomethoxy-1-(3-chloro-4-methyl-phenyl)-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C22H18ClNO5 MolecularWeight: 411.83502

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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)Cl

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)Cl

InChI

InChI=1S/C22H18ClNO5/c1-12-4-9-16(11-18(12)23)24-13(2)19(22(28)29-3)17(20(24)25)10-14-5-7-15(8-6-14)21(26)27/h4-11H,1-3H3,(H,26,27)/b17-10-