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

Systemtic Name: tert-butyl N-[7-[(3S)-3-oxidanylpent-1-ynyl]benzotriazol-1-yl]carbamate Openeye Name: tert-butyl N-[7-[(3S)-3-hydroxypent-1-ynyl]benzotriazol-1-yl]carbamate CAS Name: N-[7-[(3S)-3-hydroxypent-1-ynyl]-1-benzotriazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-[(3S)-3-hydroxypent-1-ynyl]benzotriazol-1-yl]carbamate Traditional Name: N-[7-[(3S)-3-hydroxypent-1-ynyl]benzotriazol-1-yl]carbamic acid tert-butyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=C2C(=CC=C1)N=NN2NC(=O)OC(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3/c1-5-12(21)10-9-11-7-6-8-13-14(11)20(19-17-13)18-15(22)23-16(2,3)4/h6-8,12,21H,5H2,1-4H3,(H,18,22)/t12-/m0/s1