2-[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H18N2O6 MolecularWeight: 370.35602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-11-6-12(2)8-14(7-11)27-10-13(22)9-20-18(23)15-4-3-5-16(21(25)26)17(15)19(20)24/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1