[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H17F3N4O5 MolecularWeight: 462.37869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)N=C1C

InChI

InChI=1S/C21H17F3N4O5/c1-10-11(2)26-18-8-13(4-6-17(18)25-10)20(30)33-12(3)19(29)27-16-7-5-14(28(31)32)9-15(16)21(22,23)24/h4-9,12H,1-3H3,(H,27,29)