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

Systemtic Name: 2-[2-(2,3-dimethoxyphenyl)-4-oxidanylidene-1-(phenylsulfonyl)azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(benzenesulfonyl)-2-(2,3-dimethoxyphenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(benzenesulfonyl)-2-(2,3-dimethoxyphenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(benzenesulfonyl)-2-(2,3-dimethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-besyl-2-(2,3-dimethoxyphenyl)-4-keto-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C25H19N3O9S MolecularWeight: 537.49806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(C(=O)N2S(=O)(=O)C3=CC=CC=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C(C(=O)N2S(=O)(=O)C3=CC=CC=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O9S/c1-36-18-13-7-11-16(22(18)37-2)20-21(25(31)27(20)38(34,35)14-8-4-3-5-9-14)26-23(29)15-10-6-12-17(28(32)33)19(15)24(26)30/h3-13,20-21H,1-2H3