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

Systemtic Name: 2-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N2O6/c1-11-4-2-3-5-16(11)26-10-13(21)9-19-17(22)14-7-6-12(20(24)25)8-15(14)18(19)23/h2-8,13,21H,9-10H2,1H3/t13-/m0/s1