4-(1-nitrobutyl)isoindole-1,3-dione

Systemtic Name: 4-(1-nitrobutyl)isoindole-1,3-dione Openeye Name: 4-(1-nitrobutyl)isoindoline-1,3-dione CAS Name: 4-(1-nitrobutyl)isoindole-1,3-dione IUPAC Name: 4-(1-nitrobutyl)isoindole-1,3-dione Traditional Name: 4-(1-nitrobutyl)isoindoline-1,3-quinone Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC2=C1C(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCC(C1=CC=CC2=C1C(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c1-2-4-9(14(17)18)7-5-3-6-8-10(7)12(16)13-11(8)15/h3,5-6,9H,2,4H2,1H3,(H,13,15,16)