[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate

Systemtic Name: [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate Openeye Name: [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [2-keto-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl] ester Formula: C17H18F3N3O5 MolecularWeight: 401.33713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N3O5/c18-17(19,20)12-3-4-13(14(9-12)23(26)27)21-5-7-22(8-6-21)15(24)10-28-16(25)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2