[1-(4-methylphenyl)-2-nitro-ethyl] nitrate

Systemtic Name: [1-(4-methylphenyl)-2-nitro-ethyl] nitrate Openeye Name: [2-nitro-1-(p-tolyl)ethyl] nitrate CAS Name: nitric acid [1-(4-methylphenyl)-2-nitroethyl] ester IUPAC Name: [1-(4-methylphenyl)-2-nitroethyl] nitrate Traditional Name: nitric acid [2-nitro-1-(p-tolyl)ethyl] ester Formula: C9H10N2O5 MolecularWeight: 226.1861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O5/c1-7-2-4-8(5-3-7)9(6-10(12)13)16-11(14)15/h2-5,9H,6H2,1H3