(4-acetamidonaphthalen-1-yl) 3-nitrobenzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 3-nitrobenzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-12(21)19-17-9-10-18(16-8-3-2-7-15(16)17)26-27(24,25)14-6-4-5-13(11-14)20(22)23/h2-11H,1H3,(H,19,21)