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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-4-keto-1-(4-methoxyphenyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C25H17N3O8 MolecularWeight: 487.41778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H17N3O8/c1-34-15-8-6-14(7-9-15)26-21(13-5-10-18-19(11-13)36-12-35-18)22(25(26)31)27-23(29)16-3-2-4-17(28(32)33)20(16)24(27)30/h2-11,21-22H,12H2,1H3