1-(2-cyanoethyl)indole-6-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)indole-6-carboxylic acid Openeye Name: 1-(2-cyanoethyl)indole-6-carboxylic acid CAS Name: 1-(2-cyanoethyl)-6-indolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)indole-6-carboxylic acid Traditional Name: 1-(2-cyanoethyl)indole-6-carboxylic acid Formula: C12H10N2O2 MolecularWeight: 214.22

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CCC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CCC#N)C(=O)O

InChI

InChI=1S/C12H10N2O2/c13-5-1-6-14-7-4-9-2-3-10(12(15)16)8-11(9)14/h2-4,7-8H,1,6H2,(H,15,16)