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

Systemtic Name: (2E)-2-[(4-nitrophenyl)hydrazinylidene]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)ethanenitrile Openeye Name: (2E)-N-(4-nitroanilino)-4-oxo-4aH-quinazoline-2-carboximidoyl cyanide CAS Name: (2E)-2-[(4-nitrophenyl)hydrazinylidene]-2-(4-oxo-4aH-quinazolin-2-yl)acetonitrile IUPAC Name: (2E)-N-(4-nitroanilino)-4-oxo-4aH-quinazoline-2-carboximidoyl cyanide Traditional Name: (2E)-2-(4-keto-4aH-quinazolin-2-yl)-2-[(4-nitrophenyl)hydrazono]acetonitrile Formula: C16H10N6O3 MolecularWeight: 334.289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=NC2=O)C(=NNC3=CC=C(C=C3)[N+](=O)[O-])C#N)C=C1

Isomeric SMILES

C1=CC2C(=NC(=NC2=O)/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/C#N)C=C1

InChI

InChI=1S/C16H10N6O3/c17-9-14(21-20-10-5-7-11(8-6-10)22(24)25)15-18-13-4-2-1-3-12(13)16(23)19-15/h1-8,12,20H/b21-14+