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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-1-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-1-(3-chloro-2-methyl-phenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-2-methylphenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-2-methylphenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-1-(3-chloro-2-methyl-phenyl)-4-keto-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C25H17BrClN3O6 MolecularWeight: 570.77598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=C(C=CC(=C5)Br)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=C(C=CC(=C5)Br)OC

InChI

InChI=1S/C25H17BrClN3O6/c1-12-16(27)6-4-7-17(12)28-21(15-11-13(26)9-10-19(15)36-2)22(25(28)33)29-23(31)14-5-3-8-18(30(34)35)20(14)24(29)32/h3-11,21-22H,1-2H3