1,4-bis[(4-nitropyridin-2-yl)methyl]-1,4,7-triazonane

Systemtic Name: 1,4-bis[(4-nitropyridin-2-yl)methyl]-1,4,7-triazonane Openeye Name: 1,4-bis[(4-nitro-2-pyridyl)methyl]-1,4,7-triazonane CAS Name: 1,4-bis[(4-nitro-2-pyridinyl)methyl]-1,4,7-triazonane IUPAC Name: 1,4-bis[(4-nitropyridin-2-yl)methyl]-1,4,7-triazonane Traditional Name: 1,4-bis[(4-nitro-2-pyridyl)methyl]-1,4,7-triazonane Formula: C18H23N7O4 MolecularWeight: 401.41972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1)CC2=NC=CC(=C2)[N+](=O)[O-])CC3=NC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(CCN1)CC2=NC=CC(=C2)[N+](=O)[O-])CC3=NC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O4/c26-24(27)17-1-3-20-15(11-17)13-22-7-5-19-6-8-23(10-9-22)14-16-12-18(25(28)29)2-4-21-16/h1-4,11-12,19H,5-10,13-14H2