(4-cyano-2-fluoranyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate CAS Name: 2-[(4-nitrophenyl)thio]propanoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-[(4-nitrophenyl)thio]propionic acid (4-cyano-2-fluoro-benzyl) ester Formula: C17H13FN2O4S MolecularWeight: 360.359523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=C(C=C1)C#N)F)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=C(C=C(C=C1)C#N)F)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13FN2O4S/c1-11(25-15-6-4-14(5-7-15)20(22)23)17(21)24-10-13-3-2-12(9-19)8-16(13)18/h2-8,11H,10H2,1H3