2-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]isoindolin-1-one CAS Name: 2-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]isoindolin-1-one Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1[C@@H](CO)[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N2O5/c20-10-15(16(21)11-5-7-13(8-6-11)19(23)24)18-9-12-3-1-2-4-14(12)17(18)22/h1-8,15-16,20-21H,9-10H2/t15-,16-/m0/s1