4-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanylmethyl]-2-nitro-phenolate

Systemtic Name: 4-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanylmethyl]-2-nitro-phenolate Openeye Name: 4-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanylmethyl]-2-nitro-phenolate CAS Name: 4-[[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]methyl]-2-nitrophenolate IUPAC Name: 4-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanylmethyl]-2-nitrophenolate Traditional Name: 4-[[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]methyl]-2-nitro-phenolate Formula: C11H9N4O5S- MolecularWeight: 309.27796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O5S/c1-6-12-10(15(19)20)11(13-6)21-5-7-2-3-9(16)8(4-7)14(17)18/h2-4,16H,5H2,1H3,(H,12,13)/p-1