2-[(E)-C-cyano-N-[(4-nitrophenyl)amino]carbonimidoyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-C-cyano-N-[(4-nitrophenyl)amino]carbonimidoyl]quinazolin-4-olate Openeye Name: 2-[(E)-C-cyano-N-(4-nitroanilino)carbonimidoyl]quinazolin-4-olate CAS Name: 2-[(E)-cyano-[(4-nitrophenyl)hydrazinylidene]methyl]-4-quinazolinolate IUPAC Name: 2-[(E)-C-cyano-N-(4-nitroanilino)carbonimidoyl]quinazolin-4-olate Traditional Name: 2-[(E)-C-cyano-N-(4-nitroanilino)carbonimidoyl]quinazolin-4-olate Formula: C16H9N6O3- MolecularWeight: 333.28106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(=NNC3=CC=C(C=C3)[N+](=O)[O-])C#N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/C#N)[O-]

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/h1-8,20H,(H,18,19,23)/p-1/b21-14+