2-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)sulfonylethyl ethanoate

Systemtic Name: 2-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)sulfonylethyl ethanoate Openeye Name: 2-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)sulfonylethyl acetate CAS Name: acetic acid 2-[(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)sulfonyl]ethyl ester IUPAC Name: 2-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)sulfonylethyl acetate Traditional Name: acetic acid 2-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)sulfonylethyl ester Formula: C13H15N3O7S MolecularWeight: 357.3391

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCS(=O)(=O)C1=C(C=C2C(=C1)N(C(=O)N2C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCS(=O)(=O)C1=C(C=C2C(=C1)N(C(=O)N2C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7S/c1-8(17)23-4-5-24(21,22)12-7-10-9(6-11(12)16(19)20)14(2)13(18)15(10)3/h6-7H,4-5H2,1-3H3