1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(6-nitropyridin-3-yl)piperazine

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(6-nitropyridin-3-yl)piperazine Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(6-nitro-3-pyridyl)piperazine CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(6-nitro-3-pyridinyl)piperazine IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(6-nitropyridin-3-yl)piperazine Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(6-nitro-3-pyridyl)piperazine Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O6/c24-22(25)16-7-13(18-14(8-16)11-28-12-29-18)10-20-3-5-21(6-4-20)15-1-2-17(19-9-15)23(26)27/h1-2,7-9H,3-6,10-12H2