2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[3-[(4-fluorophenyl)thio]propanoylamino]methyl]-4-nitro-phenolate Formula: C16H14FN2O4S- MolecularWeight: 349.356763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H15FN2O4S/c17-12-1-4-14(5-2-12)24-8-7-16(21)18-10-11-9-13(19(22)23)3-6-15(11)20/h1-6,9,20H,7-8,10H2,(H,18,21)/p-1