[2-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propylamino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propylamino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[3-[2-nitro-4-(trifluoromethyl)anilino]propylamino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[3-[2-nitro-4-(trifluoromethyl)anilino]propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-[2-nitro-4-(trifluoromethyl)anilino]propylamino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-keto-2-[3-[2-nitro-4-(trifluoromethyl)anilino]propylamino]ethyl] ester Formula: C14H16F3N3O5 MolecularWeight: 363.28915

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC(=O)NCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

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