[2-(methylamino)-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-keto-2-(methylamino)ethyl] ester Formula: C12H12F3N3O5 MolecularWeight: 335.23599

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F3N3O5/c1-16-10(19)6-23-11(20)5-17-8-3-2-7(12(13,14)15)4-9(8)18(21)22/h2-4,17H,5-6H2,1H3,(H,16,19)