[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C17H19F3N4O6 MolecularWeight: 432.35117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N4O6/c1-9(14(25)22-16(21)27)30-15(26)10-4-6-23(7-5-10)12-3-2-11(17(18,19)20)8-13(12)24(28)29/h2-3,8-10H,4-7H2,1H3,(H3,21,22,25,27)