4-[(E)-1-cyano-2-(1-methylindol-3-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-(1-methylindol-3-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-(1-methylindol-3-yl)vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-(1-methyl-3-indolyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-(1-methylindol-3-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-(1-methylindol-3-yl)vinyl]benzoic acid Formula: C19H14N2O2 MolecularWeight: 302.32666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H14N2O2/c1-21-12-16(17-4-2-3-5-18(17)21)10-15(11-20)13-6-8-14(9-7-13)19(22)23/h2-10,12H,1H3,(H,22,23)/b15-10-