4-[(7-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(7-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(7-nitro-4-oxo-quinazolin-3-yl)methyl]benzonitrile CAS Name: 4-[(7-nitro-4-oxo-3-quinazolinyl)methyl]benzonitrile IUPAC Name: 4-[(7-nitro-4-oxoquinazolin-3-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-7-nitro-quinazolin-3-yl)methyl]benzonitrile Formula: C16H10N4O3 MolecularWeight: 306.2756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C#N

InChI

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