[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C19H14FNO5S MolecularWeight: 387.381563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCOC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCOC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H14FNO5S/c20-14-5-3-12(4-6-14)16(22)2-1-9-26-19(23)18-11-13-10-15(21(24)25)7-8-17(13)27-18/h3-8,10-11H,1-2,9H2