methyl 2-(5-methyl-2-nitro-phenyl)sulfonylethanoate

Systemtic Name: methyl 2-(5-methyl-2-nitro-phenyl)sulfonylethanoate Openeye Name: methyl 2-(5-methyl-2-nitro-phenyl)sulfonylacetate CAS Name: 2-(5-methyl-2-nitrophenyl)sulfonylacetic acid methyl ester IUPAC Name: methyl 2-(5-methyl-2-nitrophenyl)sulfonylacetate Traditional Name: 2-(5-methyl-2-nitro-phenyl)sulfonylacetic acid methyl ester Formula: C10H11NO6S MolecularWeight: 273.26244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)CC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)CC(=O)OC

InChI

InChI=1S/C10H11NO6S/c1-7-3-4-8(11(13)14)9(5-7)18(15,16)6-10(12)17-2/h3-5H,6H2,1-2H3