[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C17H13BrFNO5 MolecularWeight: 410.191223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrFNO5/c18-14-8-5-12(10-15(14)20(23)24)17(22)25-9-1-2-16(21)11-3-6-13(19)7-4-11/h3-8,10H,1-2,9H2