1-[4-(2-nitrooxyethyl)piperazin-1-yl]propan-2-yl nitrate

Systemtic Name: 1-[4-(2-nitrooxyethyl)piperazin-1-yl]propan-2-yl nitrate Openeye Name: [1-methyl-2-[4-(2-nitrooxyethyl)piperazin-1-yl]ethyl] nitrate CAS Name: nitric acid 1-[4-(2-nitrooxyethyl)-1-piperazinyl]propan-2-yl ester IUPAC Name: 1-[4-(2-nitrooxyethyl)piperazin-1-yl]propan-2-yl nitrate Traditional Name: nitric acid [1-methyl-2-[4-(2-nitrooxyethyl)piperazino]ethyl] ester Formula: C9H18N4O6 MolecularWeight: 278.26242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CCO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(CN1CCN(CC1)CCO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C9H18N4O6/c1-9(19-13(16)17)8-11-4-2-10(3-5-11)6-7-18-12(14)15/h9H,2-8H2,1H3