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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C=C3)Br)C)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C=C3)Br)C)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20BrN3O6/c1-3-36-18-8-4-15(5-9-18)22-23(26(33)28(22)16-7-11-21(27)14(2)12-16)29-24(31)19-10-6-17(30(34)35)13-20(19)25(29)32/h4-13,22-23H,3H2,1-2H3