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

Systemtic Name: 6-methyl-3-nitro-2-oxidanylidene-4-(phenylmethyl)sulfonyl-pyridine-1-carboxylic acid; prop-1-ene Openeye Name: 4-benzylsulfonyl-6-methyl-3-nitro-2-oxo-pyridine-1-carboxylic acid; prop-1-ene CAS Name: 6-methyl-3-nitro-2-oxo-4-(phenylmethyl)sulfonyl-1-pyridinecarboxylic acid; 1-propene IUPAC Name: 4-benzylsulfonyl-6-methyl-3-nitro-2-oxopyridine-1-carboxylic acid; prop-1-ene Traditional Name: 4-benzylsulfonyl-2-keto-6-methyl-3-nitro-pyridine-1-carboxylic acid; prop-1-ene Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O7S.C3H6/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;1-3-2/h2-7H,8H2,1H3,(H,18,19);3H,1H2,2H3