3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-yl]amino]benzoic acid

Systemtic Name: 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-yl]amino]benzoic acid Openeye Name: 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxo-pyrrol-3-yl]amino]benzoic acid CAS Name: 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxo-3-pyrrolyl]amino]benzoic acid IUPAC Name: 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid Traditional Name: 3-[[5-carbethoxy-1-(3-carboxyphenyl)-2-keto-5-methyl-3-pyrrolin-3-yl]amino]benzoic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H20N2O7/c1-3-31-21(30)22(2)12-17(23-15-8-4-6-13(10-15)19(26)27)18(25)24(22)16-9-5-7-14(11-16)20(28)29/h4-12,23H,3H2,1-2H3,(H,26,27)(H,28,29)