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

Systemtic Name: 2-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(1-naphthoxy)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC(CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OC[C@H](CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H16N2O6/c24-14(12-29-18-10-3-6-13-5-1-2-7-15(13)18)11-22-20(25)16-8-4-9-17(23(27)28)19(16)21(22)26/h1-10,14,24H,11-12H2/t14-/m0/s1