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

Systemtic Name: 4-[[4-(carboxycarbonyl)-7-imidazol-1-yl-2-oxidanylidene-1,3-dihydroquinoxalin-6-yl]oxy]benzoic acid Openeye Name: 4-[(7-imidazol-1-yl-4-oxalo-2-oxo-1,3-dihydroquinoxalin-6-yl)oxy]benzoic acid CAS Name: 4-[[7-(1-imidazolyl)-4-oxalo-2-oxo-1,3-dihydroquinoxalin-6-yl]oxy]benzoic acid IUPAC Name: 4-[(7-imidazol-1-yl-4-oxalo-2-oxo-1,3-dihydroquinoxalin-6-yl)oxy]benzoic acid Traditional Name: 4-[(7-imidazol-1-yl-2-keto-4-oxalo-1,3-dihydroquinoxalin-6-yl)oxy]benzoic acid Formula: C20H14N4O7 MolecularWeight: 422.34776

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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)OC4=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)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H14N4O7/c25-17-9-24(18(26)20(29)30)14-8-16(31-12-3-1-11(2-4-12)19(27)28)15(7-13(14)22-17)23-6-5-21-10-23/h1-8,10H,9H2,(H,22,25)(H,27,28)(H,29,30)