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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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