1,3-benzodioxol-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C19H16F3N3O5 MolecularWeight: 423.34265

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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)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16F3N3O5/c20-19(21,22)13-2-3-14(15(10-13)25(27)28)23-5-7-24(8-6-23)18(26)12-1-4-16-17(9-12)30-11-29-16/h1-4,9-10H,5-8,11H2