(3-fluorophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-fluorophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3-fluorophenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (3-fluorobenzyl) ester Formula: C16H10FNO4S MolecularWeight: 331.318303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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