1-[(6-chloranylpyridin-3-yl)methyl]-2-(1-nitropropyl)-1,3-diazinane

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-2-(1-nitropropyl)-1,3-diazinane Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-2-(1-nitropropyl)hexahydropyrimidine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-2-(1-nitropropyl)-1,3-diazinane IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-2-(1-nitropropyl)-1,3-diazinane Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-2-(1-nitropropyl)hexahydropyrimidine Formula: C13H19ClN4O2 MolecularWeight: 298.76856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1NCCCN1CC2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C1NCCCN1CC2=CN=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H19ClN4O2/c1-2-11(18(19)20)13-15-6-3-7-17(13)9-10-4-5-12(14)16-8-10/h4-5,8,11,13,15H,2-3,6-7,9H2,1H3