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

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

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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(=CC=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(=CC=C5)[N+](=O)[O-]

InChI

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