(3-nitrophenyl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (3-nitrophenyl)methyl 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid (3-nitrobenzyl) ester Formula: C16H10FNO4S MolecularWeight: 331.318303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10FNO4S/c17-12-4-5-14-11(7-12)8-15(23-14)16(19)22-9-10-2-1-3-13(6-10)18(20)21/h1-8H,9H2