5-nitro-2-(4-oxidanylbutyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(4-oxidanylbutyl)isoindole-1,3-dione Openeye Name: 2-(4-hydroxybutyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(4-hydroxybutyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(4-hydroxybutyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(4-hydroxybutyl)-5-nitro-isoindoline-1,3-quinone Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5/c15-6-2-1-5-13-11(16)9-4-3-8(14(18)19)7-10(9)12(13)17/h3-4,7,15H,1-2,5-6H2