methyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]amino]butyric acid methyl ester Formula: C18H22F3N3O5 MolecularWeight: 417.37959

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22F3N3O5/c1-29-16(25)3-2-8-22-17(26)12-6-9-23(10-7-12)14-5-4-13(18(19,20)21)11-15(14)24(27)28/h4-5,11-12H,2-3,6-10H2,1H3,(H,22,26)