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

Systemtic Name: 2-[2-(4-butoxyphenyl)-1-(4-chlorophenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-butoxyphenyl)-1-(4-chlorophenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-butoxyphenyl)-1-(4-chlorophenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-butoxyphenyl)-1-(4-chlorophenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-butoxyphenyl)-1-(4-chlorophenyl)-4-keto-azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C27H22ClN3O6 MolecularWeight: 519.93308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)Cl)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)Cl)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H22ClN3O6/c1-2-3-14-37-20-11-4-16(5-12-20)23-24(27(34)29(23)18-8-6-17(28)7-9-18)30-25(32)21-13-10-19(31(35)36)15-22(21)26(30)33/h4-13,15,23-24H,2-3,14H2,1H3