methyl 4-imidazol-1-yl-2-methyl-5-nitro-benzoate

Systemtic Name: methyl 4-imidazol-1-yl-2-methyl-5-nitro-benzoate Openeye Name: methyl 4-imidazol-1-yl-2-methyl-5-nitro-benzoate CAS Name: 4-(1-imidazolyl)-2-methyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-2-methyl-5-nitrobenzoate Traditional Name: 4-imidazol-1-yl-2-methyl-5-nitro-benzoic acid methyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])N2C=CN=C2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])N2C=CN=C2

InChI

InChI=1S/C12H11N3O4/c1-8-5-10(14-4-3-13-7-14)11(15(17)18)6-9(8)12(16)19-2/h3-7H,1-2H3