6-methyl-3-nitro-2-oxidanylidene-4-(phenylmethyl)sulfonyl-pyridine-1-carboxylic acid

Systemtic Name: 6-methyl-3-nitro-2-oxidanylidene-4-(phenylmethyl)sulfonyl-pyridine-1-carboxylic acid Openeye Name: 4-benzylsulfonyl-6-methyl-3-nitro-2-oxo-pyridine-1-carboxylic acid CAS Name: 6-methyl-3-nitro-2-oxo-4-(phenylmethyl)sulfonyl-1-pyridinecarboxylic acid IUPAC Name: 4-benzylsulfonyl-6-methyl-3-nitro-2-oxopyridine-1-carboxylic acid Traditional Name: 4-benzylsulfonyl-2-keto-6-methyl-3-nitro-pyridine-1-carboxylic acid Formula: C14H12N2O7S MolecularWeight: 352.31928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1C(=O)O)[N+](=O)[O-])S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=O)N1C(=O)O)[N+](=O)[O-])S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H12N2O7S/c1-9-7-11(12(16(20)21)13(17)15(9)14(18)19)24(22,23)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,19)