(1-methyl-5-nitro-imidazol-2-yl)methyl benzoate

Systemtic Name: (1-methyl-5-nitro-imidazol-2-yl)methyl benzoate Openeye Name: (1-methyl-5-nitro-imidazol-2-yl)methyl benzoate CAS Name: benzoic acid (1-methyl-5-nitro-2-imidazolyl)methyl ester IUPAC Name: (1-methyl-5-nitroimidazol-2-yl)methyl benzoate Traditional Name: benzoic acid (1-methyl-5-nitro-imidazol-2-yl)methyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-14-10(13-7-11(14)15(17)18)8-19-12(16)9-5-3-2-4-6-9/h2-7H,8H2,1H3