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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methyl-phenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methyl-phenyl)-4-keto-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C26H20FN3O7 MolecularWeight: 505.451303

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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(=CC=C4)[N+](=O)[O-])C5=CC(=C(C=C5)OC)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C26H20FN3O7/c1-13-7-9-15(12-17(13)27)28-22(14-8-10-19(36-2)20(11-14)37-3)23(26(28)33)29-24(31)16-5-4-6-18(30(34)35)21(16)25(29)32/h4-12,22-23H,1-3H3