5-nitro-2-octyl-isoindole-1,3-dione

Systemtic Name: 5-nitro-2-octyl-isoindole-1,3-dione Openeye Name: 5-nitro-2-octyl-isoindoline-1,3-dione CAS Name: 5-nitro-2-octylisoindole-1,3-dione IUPAC Name: 5-nitro-2-octylisoindole-1,3-dione Traditional Name: 5-nitro-2-octyl-isoindoline-1,3-quinone Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4/c1-2-3-4-5-6-7-10-17-15(19)13-9-8-12(18(21)22)11-14(13)16(17)20/h8-9,11H,2-7,10H2,1H3