[3-(4-cyclopropyl-3-nitro-phenyl)-3-oxidanyl-propyl] nitrate

Systemtic Name: [3-(4-cyclopropyl-3-nitro-phenyl)-3-oxidanyl-propyl] nitrate Openeye Name: [3-(4-cyclopropyl-3-nitro-phenyl)-3-hydroxy-propyl] nitrate CAS Name: nitric acid [3-(4-cyclopropyl-3-nitrophenyl)-3-hydroxypropyl] ester IUPAC Name: [3-(4-cyclopropyl-3-nitrophenyl)-3-hydroxypropyl] nitrate Traditional Name: nitric acid [3-(4-cyclopropyl-3-nitro-phenyl)-3-hydroxy-propyl] ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c15-12(5-6-20-14(18)19)9-3-4-10(8-1-2-8)11(7-9)13(16)17/h3-4,7-8,12,15H,1-2,5-6H2