1,5-bis(chloranyl)-2-nitro-4-(trifluoromethyl)benzene; diethyl propanedioate

Systemtic Name: 1,5-bis(chloranyl)-2-nitro-4-(trifluoromethyl)benzene; diethyl propanedioate Openeye Name: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene; diethyl propanedioate CAS Name: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene; propanedioic acid diethyl ester IUPAC Name: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene; diethyl propanedioate Traditional Name: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene; malonic acid diethyl ester Formula: C14H14Cl2F3NO6 MolecularWeight: 420.16527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H2Cl2F3NO2.C7H12O4/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12;1-3-10-6(8)5-7(9)11-4-2/h1-2H;3-5H2,1-2H3