2-[5-bromanyl-3-(cyanomethyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-3-(cyanomethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-3-(cyanomethyl)indol-1-yl]acetic acid CAS Name: 2-[5-bromo-3-(cyanomethyl)-1-indolyl]acetic acid IUPAC Name: 2-[5-bromo-3-(cyanomethyl)indol-1-yl]acetic acid Traditional Name: 2-[5-bromo-3-(cyanomethyl)indol-1-yl]acetic acid Formula: C12H9BrN2O2 MolecularWeight: 293.11606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CN2CC(=O)O)CC#N

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CN2CC(=O)O)CC#N

InChI

InChI=1S/C12H9BrN2O2/c13-9-1-2-11-10(5-9)8(3-4-14)6-15(11)7-12(16)17/h1-2,5-6H,3,7H2,(H,16,17)