2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(4-piperonyloylpiperazino)benzonitrile Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5/c20-11-14-9-15(23(25)26)2-3-16(14)21-5-7-22(8-6-21)19(24)13-1-4-17-18(10-13)28-12-27-17/h1-4,9-10H,5-8,12H2