tert-butyl 3-bromanyl-5-cyano-indole-1-carboxylate

Systemtic Name: tert-butyl 3-bromanyl-5-cyano-indole-1-carboxylate Openeye Name: tert-butyl 3-bromo-5-cyano-indole-1-carboxylate CAS Name: 3-bromo-5-cyano-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-5-cyanoindole-1-carboxylate Traditional Name: 3-bromo-5-cyano-indole-1-carboxylic acid tert-butyl ester Formula: C14H13BrN2O2 MolecularWeight: 321.16922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)C#N)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)C#N)Br

InChI

InChI=1S/C14H13BrN2O2/c1-14(2,3)19-13(18)17-8-11(15)10-6-9(7-16)4-5-12(10)17/h4-6,8H,1-3H3