2-[carboxymethylcarbamoyl-[2-[carboxymethylcarbamoyl-(2-carboxyphenyl)amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid

Systemtic Name: 2-[carboxymethylcarbamoyl-[2-[carboxymethylcarbamoyl-(2-carboxyphenyl)amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid Openeye Name: 2-[[2-[2-carboxy-N-(carboxymethylcarbamoyl)anilino]-2-oxo-acetyl]-(carboxymethylcarbamoyl)amino]benzoic acid CAS Name: 2-[[2-(2-carboxy-N-[(carboxymethylamino)-oxomethyl]anilino)-1,2-dioxoethyl]-[(carboxymethylamino)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[2-[2-carboxy-N-(carboxymethylcarbamoyl)anilino]-2-oxoacetyl]-(carboxymethylcarbamoyl)amino]benzoic acid Traditional Name: 2-[[2-[2-carboxy-N-(carboxymethylcarbamoyl)anilino]-2-keto-acetyl]-(carboxymethylcarbamoyl)amino]benzoic acid Formula: C22H18N4O12 MolecularWeight: 530.39792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N(C(=O)C(=O)N(C2=CC=CC=C2C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N(C(=O)C(=O)N(C2=CC=CC=C2C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C22H18N4O12/c27-15(28)9-23-21(37)25(13-7-3-1-5-11(13)19(33)34)17(31)18(32)26(22(38)24-10-16(29)30)14-8-4-2-6-12(14)20(35)36/h1-8H,9-10H2,(H,23,37)(H,24,38)(H,27,28)(H,29,30)(H,33,34)(H,35,36)