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

Systemtic Name: 2-[2-(2,3-dimethoxyphenyl)-3-methyl-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2,3-dimethoxyphenyl)-3-methyl-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2,3-dimethoxyphenyl)-3-methyl-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2,3-dimethoxyphenyl)-3-methyl-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(2,3-dimethoxyphenyl)-4-keto-3-methyl-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N3O7 MolecularWeight: 411.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC1=O)C2=C(C(=CC=C2)OC)OC)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1(C(NC1=O)C2=C(C(=CC=C2)OC)OC)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-20(16(21-19(20)26)11-7-5-9-13(29-2)15(11)30-3)22-17(24)10-6-4-8-12(23(27)28)14(10)18(22)25/h4-9,16H,1-3H3,(H,21,26)