methyl 3-[4-nitro-2-(trifluoromethyl)phenoxy]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-nitro-2-(trifluoromethyl)phenoxy]thiophene-2-carboxylate Openeye Name: methyl 3-[4-nitro-2-(trifluoromethyl)phenoxy]thiophene-2-carboxylate CAS Name: 3-[4-nitro-2-(trifluoromethyl)phenoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-nitro-2-(trifluoromethyl)phenoxy]thiophene-2-carboxylate Traditional Name: 3-[4-nitro-2-(trifluoromethyl)phenoxy]thiophene-2-carboxylic acid methyl ester Formula: C13H8F3NO5S MolecularWeight: 347.26653

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H8F3NO5S/c1-21-12(18)11-10(4-5-23-11)22-9-3-2-7(17(19)20)6-8(9)13(14,15)16/h2-6H,1H3