5-nitro-2-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N2O6/c1-12(2)15-5-3-4-6-18(15)28-11-14(23)10-21-19(24)16-8-7-13(22(26)27)9-17(16)20(21)25/h3-9,12,14,23H,10-11H2,1-2H3/t14-/m0/s1