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

Systemtic Name: methyl 2-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]acetate CAS Name: 2-[[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]acetate Traditional Name: 2-[[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]amino]acetic acid methyl ester Formula: C16H18F3N3O5 MolecularWeight: 389.32643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N3O5/c1-27-14(23)9-20-15(24)10-4-6-21(7-5-10)12-3-2-11(16(17,18)19)8-13(12)22(25)26/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)