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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-4-keto-1-p-phenetyl-azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C26H19N3O8 MolecularWeight: 501.44436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=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

Isomeric SMILES

CCOC1=CC=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

InChI

InChI=1S/C26H19N3O8/c1-2-35-17-7-4-15(5-8-17)27-22(14-3-10-20-21(11-14)37-13-36-20)23(26(27)32)28-24(30)18-9-6-16(29(33)34)12-19(18)25(28)31/h3-12,22-23H,2,13H2,1H3