4-[[7-imidazol-1-yl-4-oxidanyl-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[7-imidazol-1-yl-4-oxidanyl-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]oxymethyl]benzoic acid Openeye Name: 4-[(4-hydroxy-7-imidazol-1-yl-2,3-dioxo-1H-quinoxalin-6-yl)oxymethyl]benzoic acid CAS Name: 4-[[4-hydroxy-7-(1-imidazolyl)-2,3-dioxo-1H-quinoxalin-6-yl]oxymethyl]benzoic acid IUPAC Name: 4-[(4-hydroxy-7-imidazol-1-yl-2,3-dioxo-1H-quinoxalin-6-yl)oxymethyl]benzoic acid Traditional Name: 4-[(4-hydroxy-7-imidazol-1-yl-2,3-diketo-1H-quinoxalin-6-yl)oxymethyl]benzoic acid Formula: C19H14N4O6 MolecularWeight: 394.33766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C3C(=C2)N(C(=O)C(=O)N3)O)N4C=CN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C3C(=C2)N(C(=O)C(=O)N3)O)N4C=CN=C4)C(=O)O

InChI

InChI=1S/C19H14N4O6/c24-17-18(25)23(28)14-8-16(15(7-13(14)21-17)22-6-5-20-10-22)29-9-11-1-3-12(4-2-11)19(26)27/h1-8,10,28H,9H2,(H,21,24)(H,26,27)