tert-butyl 5-methanoylbenzotriazole-1-carboxylate

Systemtic Name: tert-butyl 5-methanoylbenzotriazole-1-carboxylate Openeye Name: tert-butyl 5-formylbenzotriazole-1-carboxylate CAS Name: 5-formyl-1-benzotriazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-formylbenzotriazole-1-carboxylate Traditional Name: 5-formylbenzotriazole-1-carboxylic acid tert-butyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-12(2,3)18-11(17)15-10-5-4-8(7-16)6-9(10)13-14-15/h4-7H,1-3H3