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

Systemtic Name: 4-[[1-[3-carboxyoxy-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid Openeye Name: 4-[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid CAS Name: 4-[[[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]-3-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[3-carboxyoxy-2-oxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid Traditional Name: 4-[[1-[3-carboxyoxy-2-keto-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid Formula: C23H16F3N5O7 MolecularWeight: 531.39765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN(C=C2)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=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)OC(=O)O

InChI

InChI=1S/C23H16F3N5O7/c24-23(25,26)14-7-15-16(30-19(18(32)29-15)38-22(36)37)8-17(14)31-6-5-11(10-31)9-27-21(35)28-13-3-1-12(2-4-13)20(33)34/h1-8,10H,9H2,(H,29,32)(H,33,34)(H,36,37)(H2,27,28,35)