tert-butyl 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoate

Systemtic Name: tert-butyl 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoate Openeye Name: tert-butyl 3-(1,3,5-trinitrohexahydropyrimidin-5-yl)propanoate CAS Name: 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3,5-trinitro-1,3-diazinan-5-yl)propanoate Traditional Name: 3-(1,3,5-trinitrohexahydropyrimidin-5-yl)propionic acid tert-butyl ester Formula: C11H19N5O8 MolecularWeight: 349.29726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CCC1(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H19N5O8/c1-10(2,3)24-9(17)4-5-11(14(18)19)6-12(15(20)21)8-13(7-11)16(22)23/h4-8H2,1-3H3