(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H16BrFN2O3 MolecularWeight: 407.233643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=C(C=C(C=C2)Br)F)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=C(C=C(C=C2)Br)F)C)C#N

InChI

InChI=1S/C18H16BrFN2O3/c1-10-14(11(2)22-18(24)15(10)8-21)5-6-17(23)25-9-12-3-4-13(19)7-16(12)20/h3-4,7H,5-6,9H2,1-2H3,(H,22,24)