(2-acetamidophenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-acetamidophenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-acetamidophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-acetamidophenyl) ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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