(6-nitrobenzotriazol-1-yl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: (6-nitrobenzotriazol-1-yl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: (6-nitrobenzotriazol-1-yl) (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid (6-nitro-1-benzotriazolyl) ester IUPAC Name: (6-nitrobenzotriazol-1-yl) (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid (6-nitrobenzotriazol-1-yl) ester Formula: C16H18N4O6S MolecularWeight: 394.40232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)ON3C4=C(C=CC(=C4)[N+](=O)[O-])N=N3)C

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)ON3C4=C(C=CC(=C4)[N+](=O)[O-])N=N3)C

InChI

InChI=1S/C16H18N4O6S/c1-15(2)10-5-6-16(15,14(21)7-10)9-27(24,25)26-19-13-8-11(20(22)23)3-4-12(13)17-18-19/h3-4,8,10H,5-7,9H2,1-2H3