3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanenitrile

Systemtic Name: 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanenitrile Openeye Name: 3-(1,3,5-trinitrohexahydropyrimidin-5-yl)propanenitrile CAS Name: 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanenitrile IUPAC Name: 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanenitrile Traditional Name: 3-(1,3,5-trinitrohexahydropyrimidin-5-yl)propionitrile Formula: C7H10N6O6 MolecularWeight: 274.1909

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CN1[N+](=O)[O-])[N+](=O)[O-])(CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1C(CN(CN1[N+](=O)[O-])[N+](=O)[O-])(CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C7H10N6O6/c8-3-1-2-7(11(14)15)4-9(12(16)17)6-10(5-7)13(18)19/h1-2,4-6H2