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

Systemtic Name: 3-[[1-[4-(carboxymethyl)-2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid Openeye Name: 3-[[1-[4-(carboxymethyl)-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid CAS Name: 3-[[[[1-[4-(carboxymethyl)-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]-3-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-[4-(carboxymethyl)-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid Traditional Name: 3-[[1-[4-(carboxymethyl)-2,3-diketo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid Formula: C24H18F3N5O7 MolecularWeight: 545.42423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=O)N4CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=O)N4CC(=O)O)C(=O)O

InChI

InChI=1S/C24H18F3N5O7/c25-24(26,27)15-7-16-18(32(11-19(33)34)21(36)20(35)30-16)8-17(15)31-5-4-12(10-31)9-28-23(39)29-14-3-1-2-13(6-14)22(37)38/h1-8,10H,9,11H2,(H,30,35)(H,33,34)(H,37,38)(H2,28,29,39)