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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-chloranyl-2-nitro-phenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitro-phenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitro-phenyl)-4-keto-azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C24H13ClN4O9 MolecularWeight: 536.83442

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)N3C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)N3C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H13ClN4O9/c25-12-2-5-16(17(8-12)29(35)36)26-20(11-1-6-18-19(7-11)38-10-37-18)21(24(26)32)27-22(30)14-4-3-13(28(33)34)9-15(14)23(27)31/h1-9,20-21H,10H2