diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyl-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyl-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]propanedioate CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethyl]-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]malonic acid diethyl ester Formula: C24H21ClF3NO8 MolecularWeight: 543.87365

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C)(C(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC=C)(C(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H21ClF3NO8/c1-4-11-23(21(31)35-5-2,22(32)36-6-3)20(30)16-13-15(8-9-18(16)29(33)34)37-19-10-7-14(12-17(19)25)24(26,27)28/h4,7-10,12-13H,1,5-6,11H2,2-3H3