methyl 2-(1-methylimidazol-2-yl)sulfanyl-5-nitro-benzoate

Systemtic Name: methyl 2-(1-methylimidazol-2-yl)sulfanyl-5-nitro-benzoate Openeye Name: methyl 2-(1-methylimidazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(1-methylimidazol-2-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-5-nitro-benzoic acid methyl ester Formula: C12H11N3O4S MolecularWeight: 293.29844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H11N3O4S/c1-14-6-5-13-12(14)20-10-4-3-8(15(17)18)7-9(10)11(16)19-2/h3-7H,1-2H3