2-(bromomethyl)-1-ethanoyl-3-methyl-indole-5-carboxylic acid

Systemtic Name: 2-(bromomethyl)-1-ethanoyl-3-methyl-indole-5-carboxylic acid Openeye Name: 1-acetyl-2-(bromomethyl)-3-methyl-indole-5-carboxylic acid CAS Name: 1-acetyl-2-(bromomethyl)-3-methyl-5-indolecarboxylic acid IUPAC Name: 1-acetyl-2-(bromomethyl)-3-methylindole-5-carboxylic acid Traditional Name: 1-acetyl-2-(bromomethyl)-3-methyl-indole-5-carboxylic acid Formula: C13H12BrNO3 MolecularWeight: 310.14328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)C(=O)C)CBr

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)C(=O)C)CBr

InChI

InChI=1S/C13H12BrNO3/c1-7-10-5-9(13(17)18)3-4-11(10)15(8(2)16)12(7)6-14/h3-5H,6H2,1-2H3,(H,17,18)