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

Systemtic Name: tert-butyl 5-bromanyl-3-cyano-indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-cyano-indole-1-carboxylate CAS Name: 5-bromo-3-cyano-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-cyanoindole-1-carboxylate Traditional Name: 5-bromo-3-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)Br)C#N

Isomeric SMILES

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

InChI

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