1-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperonyl-piperazine Formula: C19H17F3N4O6 MolecularWeight: 454.35669

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O6/c20-19(21,22)13-8-14(25(27)28)18(15(9-13)26(29)30)24-5-3-23(4-6-24)10-12-1-2-16-17(7-12)32-11-31-16/h1-2,7-9H,3-6,10-11H2