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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(CCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H12N2O5/c1-7(15)4-5-13-11(16)9-3-2-8(14(18)19)6-10(9)12(13)17/h2-3,6-7,15H,4-5H2,1H3