3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoic acid

Systemtic Name: 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoic acid Openeye Name: 3-(1,3,5-trinitrohexahydropyrimidin-5-yl)propanoic acid CAS Name: 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoic acid IUPAC Name: 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoic acid Traditional Name: 3-(1,3,5-trinitrohexahydropyrimidin-5-yl)propionic acid Formula: C7H11N5O8 MolecularWeight: 293.19094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N5O8/c13-6(14)1-2-7(10(15)16)3-8(11(17)18)5-9(4-7)12(19)20/h1-5H2,(H,13,14)