2-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(1-naphthyloxy)propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(1-naphthoxy)propyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H16N2O6 MolecularWeight: 392.36154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC(CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H16N2O6/c24-15(12-29-19-7-3-5-13-4-1-2-6-16(13)19)11-22-20(25)17-9-8-14(23(27)28)10-18(17)21(22)26/h1-10,15,24H,11-12H2