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

Systemtic Name: 4-[[1-[3-carboxyoxy-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methoxycarbonylamino]benzoic acid Openeye Name: 4-[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methoxycarbonylamino]benzoic acid CAS Name: 4-[[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]-4-imidazolyl]methoxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methoxycarbonylamino]benzoic acid Traditional Name: 4-[[1-[3-carboxyoxy-2-keto-7-(trifluoromethyl)-1H-quinoxalin-6-yl]imidazol-4-yl]methoxycarbonylamino]benzoic acid Formula: C22H14F3N5O8 MolecularWeight: 533.37047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)OCC2=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)OCC2=CN(C=N2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)OC(=O)O

InChI

InChI=1S/C22H14F3N5O8/c23-22(24,25)13-5-14-15(29-18(17(31)28-14)38-21(35)36)6-16(13)30-7-12(26-9-30)8-37-20(34)27-11-3-1-10(2-4-11)19(32)33/h1-7,9H,8H2,(H,27,34)(H,28,31)(H,32,33)(H,35,36)