dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate

Systemtic Name: dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Openeye Name: dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]malonic acid dimethyl ester Formula: C12H10F3NO6 MolecularWeight: 321.20611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H10F3NO6/c1-21-10(17)9(11(18)22-2)7-4-3-6(12(13,14)15)5-8(7)16(19)20/h3-5,9H,1-2H3