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

Systemtic Name: [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic 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] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-keto-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl] ester Formula: C18H20F3N3O5 MolecularWeight: 415.36371

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20F3N3O5/c19-18(20,21)13-4-5-14(15(10-13)24(27)28)22-6-8-23(9-7-22)16(25)11-29-17(26)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11H2