4-[[4-(carboxycarbonyl)-7-imidazol-1-yl-2-oxidanylidene-1,3-dihydroquinoxalin-6-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[4-(carboxycarbonyl)-7-imidazol-1-yl-2-oxidanylidene-1,3-dihydroquinoxalin-6-yl]oxymethyl]benzoic acid Openeye Name: 4-[(7-imidazol-1-yl-4-oxalo-2-oxo-1,3-dihydroquinoxalin-6-yl)oxymethyl]benzoic acid CAS Name: 4-[[7-(1-imidazolyl)-4-oxalo-2-oxo-1,3-dihydroquinoxalin-6-yl]oxymethyl]benzoic acid IUPAC Name: 4-[(7-imidazol-1-yl-4-oxalo-2-oxo-1,3-dihydroquinoxalin-6-yl)oxymethyl]benzoic acid Traditional Name: 4-[(7-imidazol-1-yl-2-keto-4-oxalo-1,3-dihydroquinoxalin-6-yl)oxymethyl]benzoic acid Formula: C21H16N4O7 MolecularWeight: 436.37434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1C(=O)C(=O)O)C=C(C(=C2)N3C=CN=C3)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C(=O)NC2=C(N1C(=O)C(=O)O)C=C(C(=C2)N3C=CN=C3)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N4O7/c26-18-9-25(19(27)21(30)31)15-8-17(16(7-14(15)23-18)24-6-5-22-11-24)32-10-12-1-3-13(4-2-12)20(28)29/h1-8,11H,9-10H2,(H,23,26)(H,28,29)(H,30,31)