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

Systemtic Name: [1-(4-cyclopropyl-2-nitro-phenyl)-3-nitrooxy-propyl] nitrate Openeye Name: [1-(4-cyclopropyl-2-nitro-phenyl)-3-nitrooxy-propyl] nitrate CAS Name: nitric acid [1-(4-cyclopropyl-2-nitrophenyl)-3-nitrooxypropyl] ester IUPAC Name: [1-(4-cyclopropyl-2-nitrophenyl)-3-nitrooxypropyl] nitrate Traditional Name: nitric acid [1-(4-cyclopropyl-2-nitro-phenyl)-3-nitrooxy-propyl] ester Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=C(C=C2)C(CCO[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=CC(=C(C=C2)C(CCO[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O8/c16-13(17)11-7-9(8-1-2-8)3-4-10(11)12(23-15(20)21)5-6-22-14(18)19/h3-4,7-8,12H,1-2,5-6H2