5-(bromomethyl)-1-(2-cyanophenyl)indole-2-carboxylic acid

Systemtic Name: 5-(bromomethyl)-1-(2-cyanophenyl)indole-2-carboxylic acid Openeye Name: 5-(bromomethyl)-1-(2-cyanophenyl)indole-2-carboxylic acid CAS Name: 5-(bromomethyl)-1-(2-cyanophenyl)-2-indolecarboxylic acid IUPAC Name: 5-(bromomethyl)-1-(2-cyanophenyl)indole-2-carboxylic acid Traditional Name: 5-(bromomethyl)-1-(2-cyanophenyl)indole-2-carboxylic acid Formula: C17H11BrN2O2 MolecularWeight: 355.18544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)N2C3=C(C=C(C=C3)CBr)C=C2C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)N2C3=C(C=C(C=C3)CBr)C=C2C(=O)O

InChI

InChI=1S/C17H11BrN2O2/c18-9-11-5-6-15-13(7-11)8-16(17(21)22)20(15)14-4-2-1-3-12(14)10-19/h1-8H,9H2,(H,21,22)