(4-methyl-3-nitro-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (4-methyl-3-nitro-phenyl) 4-acetamidobenzenesulfonate Openeye Name: (4-methyl-3-nitro-phenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (4-methyl-3-nitro-phenyl) ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

InChI

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