[1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] ester IUPAC Name: [1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-[3-keto-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]-1-methyl-ethyl] ester Formula: C19H15F3N4O6 MolecularWeight: 452.34081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H15F3N4O6/c1-9(32-18(29)10-2-4-12(23)15(6-10)26(30)31)17(28)25-8-16(27)24-13-7-11(19(20,21)22)3-5-14(13)25/h2-7,9H,8,23H2,1H3,(H,24,27)