(1-cyanoisoquinolin-5-yl) benzoate

Systemtic Name: (1-cyanoisoquinolin-5-yl) benzoate Openeye Name: (1-cyano-5-isoquinolyl) benzoate CAS Name: benzoic acid (1-cyano-5-isoquinolinyl) ester IUPAC Name: (1-cyanoisoquinolin-5-yl) benzoate Traditional Name: benzoic acid (1-cyano-5-isoquinolyl) ester Formula: C17H10N2O2 MolecularWeight: 274.2735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C=CN=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C=CN=C3C#N

InChI

InChI=1S/C17H10N2O2/c18-11-15-13-7-4-8-16(14(13)9-10-19-15)21-17(20)12-5-2-1-3-6-12/h1-10H