1-(1,3-benzodioxol-5-ylmethyl)-4-(5-nitropyridin-2-yl)piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-nitropyridin-2-yl)piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-nitro-2-pyridyl)piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-nitro-2-pyridinyl)piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-nitropyridin-2-yl)piperazine Traditional Name: 1-(5-nitro-2-pyridyl)-4-piperonyl-piperazine Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c22-21(23)14-2-4-17(18-10-14)20-7-5-19(6-8-20)11-13-1-3-15-16(9-13)25-12-24-15/h1-4,9-10H,5-8,11-12H2