(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) benzenesulfonate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) benzenesulfonate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) benzenesulfonate CAS Name: benzenesulfonic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C12H10N2O6S MolecularWeight: 310.2826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6S/c1-8-7-10(11(14(16)17)12(15)13-8)20-21(18,19)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,15)