4-nitro-2-(4-oxidanylcyclohexyl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(4-oxidanylcyclohexyl)isoindole-1,3-dione Openeye Name: 2-(4-hydroxycyclohexyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-hydroxycyclohexyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(4-hydroxycyclohexyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-hydroxycyclohexyl)-4-nitro-isoindoline-1,3-quinone Formula: C14H14N2O5 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CCC1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H14N2O5/c17-9-6-4-8(5-7-9)15-13(18)10-2-1-3-11(16(20)21)12(10)14(15)19/h1-3,8-9,17H,4-7H2