[1-(4-methyl-2-nitro-phenyl)-3-nitrooxy-propyl] nitrate

Systemtic Name: [1-(4-methyl-2-nitro-phenyl)-3-nitrooxy-propyl] nitrate Openeye Name: [1-(4-methyl-2-nitro-phenyl)-3-nitrooxy-propyl] nitrate CAS Name: nitric acid [1-(4-methyl-2-nitrophenyl)-3-nitrooxypropyl] ester IUPAC Name: [1-(4-methyl-2-nitrophenyl)-3-nitrooxypropyl] nitrate Traditional Name: nitric acid [1-(4-methyl-2-nitro-phenyl)-3-nitrooxy-propyl] ester Formula: C10H11N3O8 MolecularWeight: 301.20964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CCO[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(CCO[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O8/c1-7-2-3-8(9(6-7)11(14)15)10(21-13(18)19)4-5-20-12(16)17/h2-3,6,10H,4-5H2,1H3