2-[(1S)-4,5-dimethoxy-1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl]-4-nitro-phenolate

Systemtic Name: 2-[(1S)-4,5-dimethoxy-1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl]-4-nitro-phenolate Openeye Name: 2-[(1S)-1-hydroxy-4,5-dimethoxy-3-oxo-isoindolin-2-yl]-4-nitro-phenolate CAS Name: 2-[(1S)-1-hydroxy-4,5-dimethoxy-3-oxo-1H-isoindol-2-yl]-4-nitrophenolate IUPAC Name: 2-[(1S)-1-hydroxy-4,5-dimethoxy-3-oxo-1H-isoindol-2-yl]-4-nitrophenolate Traditional Name: 2-[(1S)-1-hydroxy-3-keto-4,5-dimethoxy-isoindolin-2-yl]-4-nitro-phenolate Formula: C16H13N2O7- MolecularWeight: 345.28362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@@H](N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])O)OC

InChI

InChI=1S/C16H14N2O7/c1-24-12-6-4-9-13(14(12)25-2)16(21)17(15(9)20)10-7-8(18(22)23)3-5-11(10)19/h3-7,15,19-20H,1-2H3/p-1/t15-/m0/s1