[4-[(E)-2-cyano-2-pyridin-2-yl-ethenyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-2-pyridin-2-yl-ethenyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-2-(2-pyridyl)vinyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-2-cyano-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-2-(2-pyridyl)vinyl]phenyl] ester Formula: C22H16N2O2 MolecularWeight: 340.37464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C3=CC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=C(/C#N)\C3=CC=CC=N3

InChI

InChI=1S/C22H16N2O2/c1-16-5-4-6-18(13-16)22(25)26-20-10-8-17(9-11-20)14-19(15-23)21-7-2-3-12-24-21/h2-14H,1H3/b19-14-