methyl 3-[(2-cyano-3-fluoranyl-phenyl)amino]butanoate

Systemtic Name: methyl 3-[(2-cyano-3-fluoranyl-phenyl)amino]butanoate Openeye Name: methyl 3-(2-cyano-3-fluoro-anilino)butanoate CAS Name: 3-(2-cyano-3-fluoroanilino)butanoic acid methyl ester IUPAC Name: methyl 3-(2-cyano-3-fluoroanilino)butanoate Traditional Name: 3-(2-cyano-3-fluoro-anilino)butyric acid methyl ester Formula: C12H13FN2O2 MolecularWeight: 236.242223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)NC1=C(C(=CC=C1)F)C#N

Isomeric SMILES

CC(CC(=O)OC)NC1=C(C(=CC=C1)F)C#N

InChI

InChI=1S/C12H13FN2O2/c1-8(6-12(16)17-2)15-11-5-3-4-10(13)9(11)7-14/h3-5,8,15H,6H2,1-2H3