methyl 4-(5-bromanyl-2-fluoranyl-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: methyl 4-(5-bromanyl-2-fluoranyl-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: methyl 4-(5-bromo-2-fluoro-phenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: 4-(5-bromo-2-fluorophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(5-bromo-2-fluorophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: 4-(5-bromo-2-fluoro-phenyl)-6-keto-2-methylene-nipecotic acid methyl ester Formula: C14H13BrFNO3 MolecularWeight: 342.160323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC(=O)NC1=C)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC(=O)C1C(CC(=O)NC1=C)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C14H13BrFNO3/c1-7-13(14(19)20-2)10(6-12(18)17-7)9-5-8(15)3-4-11(9)16/h3-5,10,13H,1,6H2,2H3,(H,17,18)