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

Systemtic Name: 2-[1-(4-bromanyl-3-methyl-phenyl)-2-oxidanylidene-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(4-bromo-3-methyl-phenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(4-bromo-3-methyl-phenyl)-2-keto-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C27H22BrN3O8 MolecularWeight: 596.38288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC(=C(C(=C5)OC)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC(=C(C(=C5)OC)OC)OC)Br

InChI

InChI=1S/C27H22BrN3O8/c1-13-10-15(8-9-17(13)28)29-22(14-11-19(37-2)24(39-4)20(12-14)38-3)23(27(29)34)30-25(32)16-6-5-7-18(31(35)36)21(16)26(30)33/h5-12,22-23H,1-4H3