3-acetamido-5-bromanyl-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-acetamido-5-bromanyl-1-methyl-indole-2-carboxylic acid Openeye Name: 3-acetamido-5-bromo-1-methyl-indole-2-carboxylic acid CAS Name: 3-acetamido-5-bromo-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-acetamido-5-bromo-1-methylindole-2-carboxylic acid Traditional Name: 3-acetamido-5-bromo-1-methyl-indole-2-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=C1C=C(C=C2)Br)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(N(C2=C1C=C(C=C2)Br)C)C(=O)O

InChI

InChI=1S/C12H11BrN2O3/c1-6(16)14-10-8-5-7(13)3-4-9(8)15(2)11(10)12(17)18/h3-5H,1-2H3,(H,14,16)(H,17,18)