2-[2-(2,3-dimethoxyphenyl)-1-methylsulfonyl-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(2,3-dimethoxyphenyl)-1-methylsulfonyl-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2,3-dimethoxyphenyl)-1-methylsulfonyl-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2,3-dimethoxyphenyl)-1-methylsulfonyl-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2,3-dimethoxyphenyl)-1-methylsulfonyl-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(2,3-dimethoxyphenyl)-4-keto-1-mesyl-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N3O9S MolecularWeight: 475.42868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(C(=O)N2S(=O)(=O)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C(C(=O)N2S(=O)(=O)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O9S/c1-31-13-9-5-7-11(17(13)32-2)15-16(20(26)22(15)33(3,29)30)21-18(24)10-6-4-8-12(23(27)28)14(10)19(21)25/h4-9,15-16H,1-3H3