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

Systemtic Name: 5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanenitrile Openeye Name: 5-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanenitrile CAS Name: 5-(4-nitro-1,3-dioxo-2-isoindolyl)pentanenitrile IUPAC Name: 5-(4-nitro-1,3-dioxoisoindol-2-yl)pentanenitrile Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)valeronitrile Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCC#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCC#N

InChI

InChI=1S/C13H11N3O4/c14-7-2-1-3-8-15-12(17)9-5-4-6-10(16(19)20)11(9)13(15)18/h4-6H,1-3,8H2