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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxy-phenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxy-phenyl)-4-keto-azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C25H16ClN3O8 MolecularWeight: 521.86284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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)Cl

Isomeric SMILES

COC1=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)Cl

InChI

InChI=1S/C25H16ClN3O8/c1-35-18-7-4-13(10-17(18)26)27-21(12-2-6-19-20(8-12)37-11-36-19)22(25(27)32)28-23(30)15-5-3-14(29(33)34)9-16(15)24(28)31/h2-10,21-22H,11H2,1H3