tert-butyl 7-oxidanylidene-4,6-dihydropyrrolo[2,3-g]benzotriazole-1-carboxylate

Systemtic Name: tert-butyl 7-oxidanylidene-4,6-dihydropyrrolo[2,3-g]benzotriazole-1-carboxylate Openeye Name: tert-butyl 7-oxo-4,6-dihydropyrrolo[2,3-g]benzotriazole-1-carboxylate CAS Name: 7-oxo-4,6-dihydropyrrolo[2,3-g]benzotriazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-oxo-4,6-dihydropyrrolo[2,3-g]benzotriazole-1-carboxylate Traditional Name: 7-keto-4,6-dihydropyrrolo[2,3-g]benzotriazole-1-carboxylic acid tert-butyl ester Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(CC=C3C2=CC(=O)N3)N=N1

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(CC=C3C2=CC(=O)N3)N=N1

InChI

InChI=1S/C13H14N4O3/c1-13(2,3)20-12(19)17-11-7-6-10(18)14-8(7)4-5-9(11)15-16-17/h4,6H,5H2,1-3H3,(H,14,18)