1,3-benzodioxol-5-yl-[4-(3-nitropyridin-2-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(3-nitropyridin-2-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(3-nitro-2-pyridyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(3-nitropyridin-2-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3-nitro-2-pyridyl)piperazino]methanone Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

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