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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C14H16F3N3O5 MolecularWeight: 363.28915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3O5/c1-8(2)19-12(21)7-25-13(22)6-18-10-4-3-9(14(15,16)17)5-11(10)20(23)24/h3-5,8,18H,6-7H2,1-2H3,(H,19,21)