3-[[5-aminocarbonyl-2-[(3-carboxyphenyl)amino]-4-methoxycarbonyl-phenyl]amino]benzoic acid

Systemtic Name: 3-[[5-aminocarbonyl-2-[(3-carboxyphenyl)amino]-4-methoxycarbonyl-phenyl]amino]benzoic acid Openeye Name: 3-[5-carbamoyl-2-(3-carboxyanilino)-4-methoxycarbonyl-anilino]benzoic acid CAS Name: 3-[5-carbamoyl-2-(3-carboxyanilino)-4-methoxycarbonylanilino]benzoic acid IUPAC Name: 3-[5-carbamoyl-2-(3-carboxyanilino)-4-methoxycarbonylanilino]benzoic acid Traditional Name: 3-[5-carbamoyl-4-carbomethoxy-2-(3-carboxyanilino)anilino]benzoic acid Formula: C23H19N3O7 MolecularWeight: 449.41286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(=O)N)NC2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(=O)N)NC2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H19N3O7/c1-33-23(32)17-11-19(26-15-7-3-5-13(9-15)22(30)31)18(10-16(17)20(24)27)25-14-6-2-4-12(8-14)21(28)29/h2-11,25-26H,1H3,(H2,24,27)(H,28,29)(H,30,31)