[3-methyl-2-nitro-6-(oxiran-2-ylmethyl)phenyl] ethanoate

Systemtic Name: [3-methyl-2-nitro-6-(oxiran-2-ylmethyl)phenyl] ethanoate Openeye Name: [3-methyl-2-nitro-6-(oxiran-2-ylmethyl)phenyl] acetate CAS Name: acetic acid [3-methyl-2-nitro-6-(2-oxiranylmethyl)phenyl] ester IUPAC Name: [3-methyl-2-nitro-6-(oxiran-2-ylmethyl)phenyl] acetate Traditional Name: acetic acid (6-glycidyl-3-methyl-2-nitro-phenyl) ester Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CC2CO2)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)CC2CO2)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-7-3-4-9(5-10-6-17-10)12(18-8(2)14)11(7)13(15)16/h3-4,10H,5-6H2,1-2H3