[1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3-nitrooxy-propan-2-yl] nitrate hydrochloride

Systemtic Name: [1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3-nitrooxy-propan-2-yl] nitrate hydrochloride Openeye Name: [1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxymethyl]-2-nitrooxy-ethyl] nitrate hydrochloride CAS Name: nitric acid [1-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-3-nitrooxypropan-2-yl] ester hydrochloride IUPAC Name: [1-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-3-nitrooxypropan-2-yl] nitrate hydrochloride Traditional Name: nitric acid [1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxymethyl]-2-nitrooxy-ethyl] ester hydrochloride Formula: C9H14ClN5O9 MolecularWeight: 371.68856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOCC(CO[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CC1=NC=C(N1CCOCC(CO[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C9H13N5O9.ClH/c1-7-10-4-9(12(15)16)11(7)2-3-21-5-8(23-14(19)20)6-22-13(17)18;/h4,8H,2-3,5-6H2,1H3;1H