(3-fluoranyl-4-methoxy-phenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C17H12FNO5S MolecularWeight: 361.344283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C17H12FNO5S/c1-23-14-4-2-10(6-13(14)18)9-24-17(20)16-8-11-7-12(19(21)22)3-5-15(11)25-16/h2-8H,9H2,1H3