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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-keto-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C25H18FN3O7 MolecularWeight: 491.424723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)F)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)F)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C25H18FN3O7/c1-35-18-11-6-13(12-19(18)36-2)21-22(25(32)27(21)15-9-7-14(26)8-10-15)28-23(30)16-4-3-5-17(29(33)34)20(16)24(28)31/h3-12,21-22H,1-2H3