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

Systemtic Name: methyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C21H20F3N3O5 MolecularWeight: 451.39581

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O5/c1-32-20(29)14-2-5-16(6-3-14)25-19(28)13-8-10-26(11-9-13)17-7-4-15(21(22,23)24)12-18(17)27(30)31/h2-7,12-13H,8-11H2,1H3,(H,25,28)