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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-11-5-12(2)7-15(6-11)27-10-14(22)9-20-18(23)16-4-3-13(21(25)26)8-17(16)19(20)24/h3-8,14,22H,9-10H2,1-2H3/t14-/m0/s1