tert-butyl N-[7-(3-oxidanylprop-1-ynyl)benzotriazol-1-yl]carbamate

Systemtic Name: tert-butyl N-[7-(3-oxidanylprop-1-ynyl)benzotriazol-1-yl]carbamate Openeye Name: tert-butyl N-[7-(3-hydroxyprop-1-ynyl)benzotriazol-1-yl]carbamate CAS Name: N-[7-(3-hydroxyprop-1-ynyl)-1-benzotriazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-(3-hydroxyprop-1-ynyl)benzotriazol-1-yl]carbamate Traditional Name: N-[7-(3-hydroxyprop-1-ynyl)benzotriazol-1-yl]carbamic acid tert-butyl ester Formula: C14H16N4O3 MolecularWeight: 288.30184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1C2=C(C=CC=C2N=N1)C#CCO

Isomeric SMILES

CC(C)(C)OC(=O)NN1C2=C(C=CC=C2N=N1)C#CCO

InChI

InChI=1S/C14H16N4O3/c1-14(2,3)21-13(20)16-18-12-10(7-5-9-19)6-4-8-11(12)15-17-18/h4,6,8,19H,9H2,1-3H3,(H,16,20)