2-[1-(5-chloranyl-2-methyl-phenyl)-2-(2,5-dimethoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-(5-chloranyl-2-methyl-phenyl)-2-(2,5-dimethoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(5-chloro-2-methyl-phenyl)-2-(2,5-dimethoxyphenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(5-chloro-2-methylphenyl)-2-(2,5-dimethoxyphenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(5-chloro-2-methylphenyl)-2-(2,5-dimethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(5-chloro-2-methyl-phenyl)-2-(2,5-dimethoxyphenyl)-4-keto-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C26H20ClN3O7 MolecularWeight: 521.9059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=C(C=CC(=C5)OC)OC

InChI

InChI=1S/C26H20ClN3O7/c1-13-7-8-14(27)11-19(13)28-22(17-12-15(36-2)9-10-20(17)37-3)23(26(28)33)29-24(31)16-5-4-6-18(30(34)35)21(16)25(29)32/h4-12,22-23H,1-3H3