4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzoate

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzoate Openeye Name: 4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-2-imidazolyl)thio]-3-nitrobenzoate IUPAC Name: 4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzoate Formula: C11H8N3O4S- MolecularWeight: 278.26392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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