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

Systemtic Name: 7-[3-[[(3-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate Openeye Name: 7-[3-[[(3-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate CAS Name: 7-[3-[[[(3-ethoxycarbonylanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate IUPAC Name: 7-[3-[[(3-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate Traditional Name: 7-[3-[[(3-carbethoxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-keto-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate Formula: C25H19F3N5O6- MolecularWeight: 542.44347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)C(=O)[O-]

InChI

InChI=1S/C25H20F3N5O6/c1-2-39-23(37)14-4-3-5-15(8-14)30-24(38)29-11-13-6-7-33(12-13)19-10-18-17(9-16(19)25(26,27)28)32-21(34)20(31-18)22(35)36/h3-10,12H,2,11H2,1H3,(H,32,34)(H,35,36)(H2,29,30,38)/p-1