(4-acetamidonaphthalen-1-yl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C19H16N2O6S/c1-12-7-8-14(21(23)24)11-19(12)28(25,26)27-18-10-9-17(20-13(2)22)15-5-3-4-6-16(15)18/h3-11H,1-2H3,(H,20,22)