4-nitro-2-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@H](CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C20H20N2O6/c1-11-7-8-12(2)18(13(11)3)28-10-14(23)9-21-19(24)15-5-4-6-16(22(26)27)17(15)20(21)25/h4-8,14,23H,9-10H2,1-3H3/t14-/m0/s1