tert-butyl 3-(bromomethyl)-4-(3,5-dicyanophenoxy)indazole-1-carboxylate

Systemtic Name: tert-butyl 3-(bromomethyl)-4-(3,5-dicyanophenoxy)indazole-1-carboxylate Openeye Name: tert-butyl 3-(bromomethyl)-4-(3,5-dicyanophenoxy)indazole-1-carboxylate CAS Name: 3-(bromomethyl)-4-(3,5-dicyanophenoxy)-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(bromomethyl)-4-(3,5-dicyanophenoxy)indazole-1-carboxylate Traditional Name: 3-(bromomethyl)-4-(3,5-dicyanophenoxy)indazole-1-carboxylic acid tert-butyl ester Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)OC3=CC(=CC(=C3)C#N)C#N)C(=N1)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)OC3=CC(=CC(=C3)C#N)C#N)C(=N1)CBr

InChI

InChI=1S/C21H17BrN4O3/c1-21(2,3)29-20(27)26-17-5-4-6-18(19(17)16(10-22)25-26)28-15-8-13(11-23)7-14(9-15)12-24/h4-9H,10H2,1-3H3