[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic 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] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic 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:

CC(=CC(=O)OCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC(=O)OCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C18H20F3N3O5/c1-12(2)9-17(26)29-11-16(25)23-7-5-22(6-8-23)14-4-3-13(18(19,20)21)10-15(14)24(27)28/h3-4,9-10H,5-8,11H2,1-2H3