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

Systemtic Name: 4-[(Z)-[1-(3-chloranyl-4-methoxy-phenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[1-(3-chloro-4-methoxy-phenyl)-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[1-(3-chloro-4-methoxyphenyl)-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[1-(3-chloro-4-methoxyphenyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[4-carbomethoxy-1-(3-chloro-4-methoxy-phenyl)-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C22H18ClNO6 MolecularWeight: 427.83442

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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)Cl)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)Cl)C(=O)OC

InChI

InChI=1S/C22H18ClNO6/c1-12-19(22(28)30-3)16(10-13-4-6-14(7-5-13)21(26)27)20(25)24(12)15-8-9-18(29-2)17(23)11-15/h4-11H,1-3H3,(H,26,27)/b16-10-