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

Systemtic Name: 3-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]benzonitrile CAS Name: 3-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]benzonitrile IUPAC Name: 3-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]benzonitrile Traditional Name: 3-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]benzonitrile Formula: C16H9N3O4 MolecularWeight: 307.26036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H9N3O4/c17-8-10-3-1-4-11(7-10)9-18-15(20)12-5-2-6-13(19(22)23)14(12)16(18)21/h1-7H,9H2