6-methyl-3-nitro-2-oxidanylidene-4-(phenylsulfonyl)pyridine-1-carboxylic acid; prop-1-ene

Systemtic Name: 6-methyl-3-nitro-2-oxidanylidene-4-(phenylsulfonyl)pyridine-1-carboxylic acid; prop-1-ene Openeye Name: 4-(benzenesulfonyl)-6-methyl-3-nitro-2-oxo-pyridine-1-carboxylic acid; prop-1-ene CAS Name: 4-(benzenesulfonyl)-6-methyl-3-nitro-2-oxo-1-pyridinecarboxylic acid; 1-propene IUPAC Name: 4-(benzenesulfonyl)-6-methyl-3-nitro-2-oxopyridine-1-carboxylic acid; prop-1-ene Traditional Name: 4-besyl-2-keto-6-methyl-3-nitro-pyridine-1-carboxylic acid; prop-1-ene Formula: C16H16N2O7S MolecularWeight: 380.37244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C.CC1=CC(=C(C(=O)N1C(=O)O)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC=C.CC1=CC(=C(C(=O)N1C(=O)O)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H10N2O7S.C3H6/c1-8-7-10(23(21,22)9-5-3-2-4-6-9)11(15(19)20)12(16)14(8)13(17)18;1-3-2/h2-7H,1H3,(H,17,18);3H,1H2,2H3