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

Systemtic Name: 5-nitro-2-[(2S)-2-oxidanyl-3-phenoxy-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-phenoxy-propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-phenoxypropyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-phenoxypropyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-phenoxy-propyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6/c20-12(10-25-13-4-2-1-3-5-13)9-18-16(21)14-7-6-11(19(23)24)8-15(14)17(18)22/h1-8,12,20H,9-10H2/t12-/m0/s1