ethyl 5-bromanyl-1-(cyanomethyl)indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-1-(cyanomethyl)indole-2-carboxylate Openeye Name: ethyl 5-bromo-1-(cyanomethyl)indole-2-carboxylate CAS Name: 5-bromo-1-(cyanomethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-1-(cyanomethyl)indole-2-carboxylate Traditional Name: 5-bromo-1-(cyanomethyl)indole-2-carboxylic acid ethyl ester Formula: C13H11BrN2O2 MolecularWeight: 307.14264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC#N)C=CC(=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC#N)C=CC(=C2)Br

InChI

InChI=1S/C13H11BrN2O2/c1-2-18-13(17)12-8-9-7-10(14)3-4-11(9)16(12)6-5-15/h3-4,7-8H,2,6H2,1H3