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

Systemtic Name: 4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl]benzonitrile CAS Name: 4-[2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl]benzonitrile IUPAC Name: 4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]benzonitrile Traditional Name: 4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl]benzonitrile Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H11N3O4/c18-10-12-6-4-11(5-7-12)8-9-19-16(21)13-2-1-3-14(20(23)24)15(13)17(19)22/h1-7H,8-9H2