3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid

Systemtic Name: 3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid Openeye Name: 3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid CAS Name: 3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid IUPAC Name: 3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid Traditional Name: 3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)O

InChI

InChI=1S/C14H12N2O2/c15-8-3-9-16-10-11(6-7-14(17)18)12-4-1-2-5-13(12)16/h1-2,4-7,10H,3,9H2,(H,17,18)