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

Systemtic Name: 2-[1-(cyanomethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-(cyanomethyl)indol-3-yl]acetic acid CAS Name: 2-[1-(cyanomethyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-(cyanomethyl)indol-3-yl]acetic acid Traditional Name: 2-[1-(cyanomethyl)indol-3-yl]acetic acid Formula: C12H10N2O2 MolecularWeight: 214.22

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)CC(=O)O

InChI

InChI=1S/C12H10N2O2/c13-5-6-14-8-9(7-12(15)16)10-3-1-2-4-11(10)14/h1-4,8H,6-7H2,(H,15,16)