2-[1-(4-chlorophenyl)-3-oxidanylidene-2H-isoindol-1-yl]ethanenitrile

Systemtic Name: 2-[1-(4-chlorophenyl)-3-oxidanylidene-2H-isoindol-1-yl]ethanenitrile Openeye Name: 2-[1-(4-chlorophenyl)-3-oxo-isoindolin-1-yl]acetonitrile CAS Name: 2-[1-(4-chlorophenyl)-3-oxo-2H-isoindol-1-yl]acetonitrile IUPAC Name: 2-[1-(4-chlorophenyl)-3-oxo-2H-isoindol-1-yl]acetonitrile Traditional Name: 2-[1-(4-chlorophenyl)-3-keto-isoindolin-1-yl]acetonitrile Formula: C16H11ClN2O MolecularWeight: 282.72434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC2(CC#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC2(CC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O/c17-12-7-5-11(6-8-12)16(9-10-18)14-4-2-1-3-13(14)15(20)19-16/h1-8H,9H2,(H,19,20)