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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methyl-phenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methylphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methyl-phenyl)-4-keto-azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C25H16FN3O7 MolecularWeight: 489.408843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H16FN3O7/c1-12-2-4-14(10-18(12)26)27-21(13-3-7-19-20(8-13)36-11-35-19)22(25(27)32)28-23(30)16-6-5-15(29(33)34)9-17(16)24(28)31/h2-10,21-22H,11H2,1H3