2-[[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-6-nitro-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-6-nitro-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]methyl]benzonitrile Traditional Name: 2-[[2-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]methyl]benzonitrile Formula: C23H15N5O5 MolecularWeight: 441.3957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=CC=C2[N+](=O)[O-])C=NN3C(=O)C4=CC=CC=C4NC3=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=CC=C2[N+](=O)[O-])C=NN3C(=O)C4=CC=CC=C4NC3=O)C#N

InChI

InChI=1S/C23H15N5O5/c24-12-15-6-1-2-7-17(15)14-33-21-16(8-5-11-20(21)28(31)32)13-25-27-22(29)18-9-3-4-10-19(18)26-23(27)30/h1-11,13H,14H2,(H,26,30)