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

Systemtic Name: 4-nitro-2-[(2S)-2-oxidanyl-3-phenoxy-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-phenoxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-phenoxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-phenoxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-phenoxy-propyl]-4-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(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6/c20-11(10-25-12-5-2-1-3-6-12)9-18-16(21)13-7-4-8-14(19(23)24)15(13)17(18)22/h1-8,11,20H,9-10H2/t11-/m0/s1