6-[3-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate

Systemtic Name: 6-[3-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Openeye Name: 6-[3-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate CAS Name: 6-[3-[[[(4-carboxyanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate IUPAC Name: 6-[3-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Traditional Name: 6-[3-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-keto-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Formula: C24H16F3N4O6- MolecularWeight: 513.40225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C24H17F3N4O6/c25-24(26,27)17-9-18-14(7-16(22(35)36)20(32)30-18)8-19(17)31-6-5-12(11-31)10-28-23(37)29-15-3-1-13(2-4-15)21(33)34/h1-9,11H,10H2,(H,30,32)(H,33,34)(H,35,36)(H2,28,29,37)/p-1