8-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]isoquinoline IUPAC Name: 8-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]isoquinoline Formula: C20H16F3N5O4 MolecularWeight: 447.36735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H16F3N5O4/c21-20(22,23)13-1-2-18(19(11-13)28(31)32)26-9-7-25(8-10-26)16-3-4-17(27(29)30)15-12-24-6-5-14(15)16/h1-6,11-12H,7-10H2