2-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]phenyl]benzonitrile Formula: C22H13N3O4 MolecularWeight: 383.35632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O4/c23-12-16-3-1-2-4-18(16)15-7-5-14(6-8-15)13-24-21(26)19-10-9-17(25(28)29)11-20(19)22(24)27/h1-11H,13H2