(2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)ethanenitrile

Systemtic Name: (2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)ethanenitrile Openeye Name: (2E)-N-(4-chloroanilino)-4-oxo-4aH-quinazoline-2-carboximidoyl cyanide CAS Name: (2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-(4-oxo-4aH-quinazolin-2-yl)acetonitrile IUPAC Name: (2E)-N-(4-chloroanilino)-4-oxo-4aH-quinazoline-2-carboximidoyl cyanide Traditional Name: (2E)-2-[(4-chlorophenyl)hydrazono]-2-(4-keto-4aH-quinazolin-2-yl)acetonitrile Formula: C16H10ClN5O MolecularWeight: 323.7365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=NC2=O)C(=NNC3=CC=C(C=C3)Cl)C#N)C=C1

Isomeric SMILES

C1=CC2C(=NC(=NC2=O)/C(=N/NC3=CC=C(C=C3)Cl)/C#N)C=C1

InChI

InChI=1S/C16H10ClN5O/c17-10-5-7-11(8-6-10)21-22-14(9-18)15-19-13-4-2-1-3-12(13)16(23)20-15/h1-8,12,21H/b22-14+