3-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]but-2-en-1-one Formula: C16H18F3N3O3 MolecularWeight: 357.32763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N3O3/c1-11(2)9-15(23)21-7-5-20(6-8-21)13-4-3-12(16(17,18)19)10-14(13)22(24)25/h3-4,9-10H,5-8H2,1-2H3