[cyano(pyridin-4-yl)methyl] benzoate

Systemtic Name: [cyano(pyridin-4-yl)methyl] benzoate Openeye Name: [cyano(4-pyridyl)methyl] benzoate CAS Name: benzoic acid [cyano(pyridin-4-yl)methyl] ester IUPAC Name: [cyano(pyridin-4-yl)methyl] benzoate Traditional Name: benzoic acid [cyano(4-pyridyl)methyl] ester Formula: C14H10N2O2 MolecularWeight: 238.2414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C#N)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C#N)C2=CC=NC=C2

InChI

InChI=1S/C14H10N2O2/c15-10-13(11-6-8-16-9-7-11)18-14(17)12-4-2-1-3-5-12/h1-9,13H