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

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanenitrile Openeye Name: 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanenitrile CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)butanenitrile IUPAC Name: 4-(5-nitro-1,3-dioxoisoindol-2-yl)butanenitrile Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)butyronitrile Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O4/c13-5-1-2-6-14-11(16)9-4-3-8(15(18)19)7-10(9)12(14)17/h3-4,7H,1-2,6H2