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

Systemtic Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-21(2,3)13-7-9-15(10-8-13)29-12-14(24)11-22-19(25)16-5-4-6-17(23(27)28)18(16)20(22)26/h4-10,14,24H,11-12H2,1-3H3/t14-/m0/s1