tert-butyl N-[7-[(3S)-3-methyl-3,4-bis(oxidanyl)but-1-ynyl]benzotriazol-1-yl]carbamate

Systemtic Name: tert-butyl N-[7-[(3S)-3-methyl-3,4-bis(oxidanyl)but-1-ynyl]benzotriazol-1-yl]carbamate Openeye Name: tert-butyl N-[7-[(3S)-3,4-dihydroxy-3-methyl-but-1-ynyl]benzotriazol-1-yl]carbamate CAS Name: N-[7-[(3S)-3,4-dihydroxy-3-methylbut-1-ynyl]-1-benzotriazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-[(3S)-3,4-dihydroxy-3-methylbut-1-ynyl]benzotriazol-1-yl]carbamate Traditional Name: N-[7-[(3S)-3,4-dihydroxy-3-methyl-but-1-ynyl]benzotriazol-1-yl]carbamic acid tert-butyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@](CO)(C#CC1=C2C(=CC=C1)N=NN2NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C16H20N4O4/c1-15(2,3)24-14(22)18-20-13-11(8-9-16(4,23)10-21)6-5-7-12(13)17-19-20/h5-7,21,23H,10H2,1-4H3,(H,18,22)/t16-/m0/s1