tert-butyl 5-bromanyl-3-(2-cyanoethanoyl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-(2-cyanoethanoyl)indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-(2-cyanoacetyl)indole-1-carboxylate CAS Name: 5-bromo-3-(2-cyano-1-oxoethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-(2-cyanoacetyl)indole-1-carboxylate Traditional Name: 5-bromo-3-(2-cyanoacetyl)indole-1-carboxylic acid tert-butyl ester Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O3/c1-16(2,3)22-15(21)19-9-12(14(20)6-7-18)11-8-10(17)4-5-13(11)19/h4-5,8-9H,6H2,1-3H3