(3S)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-2,3-dihydroisoindol-1-one

Systemtic Name: (3S)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-2,3-dihydroisoindol-1-one Openeye Name: (3S)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]isoindolin-1-one CAS Name: (3S)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,3-dihydroisoindol-1-one IUPAC Name: (3S)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,3-dihydroisoindol-1-one Traditional Name: (3S)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]isoindolin-1-one Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(NC2=O)CC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](NC2=O)C[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H14N2O4/c19-15(10-5-7-11(8-6-10)18(21)22)9-14-12-3-1-2-4-13(12)16(20)17-14/h1-8,14-15,19H,9H2,(H,17,20)/t14-,15-/m0/s1