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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-1-(4-methoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-1-(4-methoxyphenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(4-methoxyphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-4-keto-1-(4-methoxyphenyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C25H18BrN3O7 MolecularWeight: 552.33032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

Isomeric SMILES

COC1=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

InChI

InChI=1S/C25H18BrN3O7/c1-35-16-7-4-14(5-8-16)27-21(19-11-13(26)3-10-20(19)36-2)22(25(27)32)28-23(30)17-9-6-15(29(33)34)12-18(17)24(28)31/h3-12,21-22H,1-2H3