6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]sesamol Formula: C19H18F3N3O5 MolecularWeight: 425.35853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5/c20-19(21,22)13-1-2-14(15(8-13)25(27)28)24-5-3-23(4-6-24)10-12-7-17-18(9-16(12)26)30-11-29-17/h1-2,7-9,26H,3-6,10-11H2