(5-cyano-2-fluoranyl-phenyl)methyl 3-acetamidobenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 3-acetamidobenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C17H13FN2O3 MolecularWeight: 312.295123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C17H13FN2O3/c1-11(21)20-15-4-2-3-13(8-15)17(22)23-10-14-7-12(9-19)5-6-16(14)18/h2-8H,10H2,1H3,(H,20,21)