tert-butyl 1-ethanoylbenzotriazole-5-carboxylate

Systemtic Name: tert-butyl 1-ethanoylbenzotriazole-5-carboxylate Openeye Name: tert-butyl 1-acetylbenzotriazole-5-carboxylate CAS Name: 1-acetyl-5-benzotriazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-acetylbenzotriazole-5-carboxylate Traditional Name: 1-acetylbenzotriazole-5-carboxylic acid tert-butyl ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=C(C=C2)C(=O)OC(C)(C)C)N=N1

Isomeric SMILES

CC(=O)N1C2=C(C=C(C=C2)C(=O)OC(C)(C)C)N=N1

InChI

InChI=1S/C13H15N3O3/c1-8(17)16-11-6-5-9(7-10(11)14-15-16)12(18)19-13(2,3)4/h5-7H,1-4H3