2-[(3-oxidanylidene-4H-quinoxalin-2-yl)-phenyl-methyl]propanedinitrile

Systemtic Name: 2-[(3-oxidanylidene-4H-quinoxalin-2-yl)-phenyl-methyl]propanedinitrile Openeye Name: 2-[(3-oxo-4H-quinoxalin-2-yl)-phenyl-methyl]propanedinitrile CAS Name: 2-[(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl]propanedinitrile IUPAC Name: 2-[(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl]propanedinitrile Traditional Name: 2-[(3-keto-4H-quinoxalin-2-yl)-phenyl-methyl]malononitrile Formula: C18H12N4O MolecularWeight: 300.31408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O/c19-10-13(11-20)16(12-6-2-1-3-7-12)17-18(23)22-15-9-5-4-8-14(15)21-17/h1-9,13,16H,(H,22,23)