(3-fluoranyl-4-methoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C13H10FNO5S MolecularWeight: 311.285603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-])F

InChI

InChI=1S/C13H10FNO5S/c1-19-10-3-2-8(6-9(10)14)7-20-13(16)11-4-5-12(21-11)15(17)18/h2-6H,7H2,1H3