tert-butyl N-(4-cyano-2-oxidanidyl-3-phenyl-pyrazol-2-ium-1-yl)carbamate

Systemtic Name: tert-butyl N-(4-cyano-2-oxidanidyl-3-phenyl-pyrazol-2-ium-1-yl)carbamate Openeye Name: tert-butyl N-(4-cyano-2-oxido-3-phenyl-pyrazol-2-ium-1-yl)carbamate CAS Name: N-(4-cyano-2-oxido-3-phenyl-1-pyrazol-2-iumyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-cyano-2-oxido-3-phenylpyrazol-2-ium-1-yl)carbamate Traditional Name: N-(4-cyano-2-oxido-3-phenyl-pyrazol-2-ium-1-yl)carbamic acid tert-butyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1C=C(C(=[N+]1[O-])C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NN1C=C(C(=[N+]1[O-])C2=CC=CC=C2)C#N

InChI

InChI=1S/C15H16N4O3/c1-15(2,3)22-14(20)17-18-10-12(9-16)13(19(18)21)11-7-5-4-6-8-11/h4-8,10H,1-3H3,(H,17,20)