1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C19H18F3N3O4S MolecularWeight: 441.42413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18F3N3O4S/c20-19(21,22)13-3-4-14(15(12-13)25(28)29)23-7-9-24(10-8-23)18(27)6-5-16(26)17-2-1-11-30-17/h1-4,11-12H,5-10H2