1,3-benzodioxol-5-yl-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5/c22-17(12-1-3-14-15(9-12)26-11-25-14)20-7-5-19(6-8-20)13-2-4-16(18-10-13)21(23)24/h1-4,9-10H,5-8,11H2