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

Systemtic Name: 5-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]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-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=C(C=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=C(C=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C20H20N2O6/c1-11-4-5-12(2)18(13(11)3)28-10-15(23)9-21-19(24)16-7-6-14(22(26)27)8-17(16)20(21)25/h4-8,15,23H,9-10H2,1-3H3/t15-/m0/s1