5-(1-methylimidazol-2-yl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 5-(1-methylimidazol-2-yl)sulfanyl-2-nitro-benzoic acid Openeye Name: 5-(1-methylimidazol-2-yl)sulfanyl-2-nitro-benzoic acid CAS Name: 5-[(1-methyl-2-imidazolyl)thio]-2-nitrobenzoic acid IUPAC Name: 5-(1-methylimidazol-2-yl)sulfanyl-2-nitrobenzoic acid Traditional Name: 5-[(1-methylimidazol-2-yl)thio]-2-nitro-benzoic acid Formula: C11H9N3O4S MolecularWeight: 279.27186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4S/c1-13-5-4-12-11(13)19-7-2-3-9(14(17)18)8(6-7)10(15)16/h2-6H,1H3,(H,15,16)