4-[[7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzonitrile CAS Name: 4-[(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzonitrile IUPAC Name: 4-[(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzonitrile Traditional Name: 4-[(2,4-diketo-7-nitro-1H-quinazolin-3-yl)methyl]benzonitrile Formula: C16H10N4O4 MolecularWeight: 322.275

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C#N

InChI

InChI=1S/C16H10N4O4/c17-8-10-1-3-11(4-2-10)9-19-15(21)13-6-5-12(20(23)24)7-14(13)18-16(19)22/h1-7H,9H2,(H,18,22)