4-[(6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(6-nitro-4-oxo-1H-quinazolin-2-yl)methyl]benzonitrile CAS Name: 4-[(6-nitro-4-oxo-1H-quinazolin-2-yl)methyl]benzonitrile IUPAC Name: 4-[(6-nitro-4-oxo-1H-quinazolin-2-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-6-nitro-1H-quinazolin-2-yl)methyl]benzonitrile Formula: C16H10N4O3 MolecularWeight: 306.2756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H10N4O3/c17-9-11-3-1-10(2-4-11)7-15-18-14-6-5-12(20(22)23)8-13(14)16(21)19-15/h1-6,8H,7H2,(H,18,19,21)