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

Systemtic Name: 2-[1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[1-(3,4-dichlorophenyl)-2-keto-4-p-phenetyl-azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C25H17Cl2N3O6 MolecularWeight: 526.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C=C3)Cl)Cl)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C=C3)Cl)Cl)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17Cl2N3O6/c1-2-36-16-7-3-13(4-8-16)21-22(25(33)28(21)14-6-10-19(26)20(27)12-14)29-23(31)17-9-5-15(30(34)35)11-18(17)24(29)32/h3-12,21-22H,2H2,1H3