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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

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