(2-acetamidophenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-acetamidophenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2-acetamidophenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2-acetamidophenyl) ester Formula: C15H14N2O6S MolecularWeight: 350.34646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c1-10-7-8-12(9-14(10)17(19)20)24(21,22)23-15-6-4-3-5-13(15)16-11(2)18/h3-9H,1-2H3,(H,16,18)