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

Systemtic Name: 4-[[4-(carboxymethyl)-7-imidazol-1-yl-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]oxymethyl]benzoic acid Openeye Name: 4-[[4-(carboxymethyl)-7-imidazol-1-yl-2,3-dioxo-1H-quinoxalin-6-yl]oxymethyl]benzoic acid CAS Name: 4-[[4-(carboxymethyl)-7-(1-imidazolyl)-2,3-dioxo-1H-quinoxalin-6-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[4-(carboxymethyl)-7-imidazol-1-yl-2,3-dioxo-1H-quinoxalin-6-yl]oxymethyl]benzoic acid Traditional Name: 4-[[4-(carboxymethyl)-7-imidazol-1-yl-2,3-diketo-1H-quinoxalin-6-yl]oxymethyl]benzoic acid Formula: C21H16N4O7 MolecularWeight: 436.37434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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