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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H20F3N3O5 MolecularWeight: 391.34231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3N3O5/c1-10(2)5-6-20-14(23)9-27-15(24)8-21-12-4-3-11(16(17,18)19)7-13(12)22(25)26/h3-4,7,10,21H,5-6,8-9H2,1-2H3,(H,20,23)