2-[2-(5-bromanyl-2-methoxy-phenyl)-1-(2,4-dimethylphenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-1-(2,4-dimethylphenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-1-(2,4-dimethylphenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-1-(2,4-dimethylphenyl)-4-keto-azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C26H20BrN3O6 MolecularWeight: 550.3575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrN3O6/c1-13-4-8-20(14(2)10-13)28-22(19-11-15(27)5-9-21(19)36-3)23(26(28)33)29-24(31)17-7-6-16(30(34)35)12-18(17)25(29)32/h4-12,22-23H,1-3H3