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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-bromanyl-3-methyl-phenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-bromo-3-methyl-phenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-bromo-3-methylphenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-bromo-3-methylphenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-bromo-3-methyl-phenyl)-4-keto-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C25H16BrN3O7 MolecularWeight: 550.31444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6)Br

InChI

InChI=1S/C25H16BrN3O7/c1-12-9-14(6-7-16(12)26)27-21(13-5-8-18-19(10-13)36-11-35-18)22(25(27)32)28-23(30)15-3-2-4-17(29(33)34)20(15)24(28)31/h2-10,21-22H,11H2,1H3