(2-chloranyl-4-nitro-phenyl) 3-acetamido-4-methoxy-benzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-acetamido-4-methoxy-benzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 3-acetamido-4-methoxy-benzenesulfonate CAS Name: 3-acetamido-4-methoxybenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-acetamido-4-methoxybenzenesulfonate Traditional Name: 3-acetamido-4-methoxy-benzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C15H13ClN2O7S MolecularWeight: 400.79092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C15H13ClN2O7S/c1-9(19)17-13-8-11(4-6-15(13)24-2)26(22,23)25-14-5-3-10(18(20)21)7-12(14)16/h3-8H,1-2H3,(H,17,19)