2-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-phenyl-ethanenitrile

Systemtic Name: 2-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(3-oxo-4H-quinoxalin-2-yl)-2-phenyl-acetonitrile CAS Name: 2-(3-oxo-4H-quinoxalin-2-yl)-2-phenylacetonitrile IUPAC Name: 2-(3-oxo-4H-quinoxalin-2-yl)-2-phenylacetonitrile Traditional Name: 2-(3-keto-4H-quinoxalin-2-yl)-2-phenyl-acetonitrile Formula: C16H11N3O MolecularWeight: 261.27804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3NC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3NC2=O

InChI

InChI=1S/C16H11N3O/c17-10-12(11-6-2-1-3-7-11)15-16(20)19-14-9-5-4-8-13(14)18-15/h1-9,12H,(H,19,20)