4-[[1-[3-carboxyoxy-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methylcarbamoylamino]benzoic acid

Systemtic Name: 4-[[1-[3-carboxyoxy-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methylcarbamoylamino]benzoic acid Openeye Name: 4-[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methylcarbamoylamino]benzoic acid CAS Name: 4-[[[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]-4-imidazolyl]methylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methylcarbamoylamino]benzoic acid Traditional Name: 4-[[1-[3-carboxyoxy-2-keto-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methylcarbamoylamino]benzoic acid Formula: C22H15F3N6O7 MolecularWeight: 532.38571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN(C=N2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)OC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN(C=N2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)OC(=O)O

InChI

InChI=1S/C22H15F3N6O7/c23-22(24,25)13-5-14-15(30-18(17(32)29-14)38-21(36)37)6-16(13)31-8-12(27-9-31)7-26-20(35)28-11-3-1-10(2-4-11)19(33)34/h1-6,8-9H,7H2,(H,29,32)(H,33,34)(H,36,37)(H2,26,28,35)