methyl 5-bromanyl-6-oxidanylidene-1-(1-phenylethyl)pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-6-oxidanylidene-1-(1-phenylethyl)pyridine-3-carboxylate Openeye Name: methyl 5-bromo-6-oxo-1-(1-phenylethyl)pyridine-3-carboxylate CAS Name: 5-bromo-6-oxo-1-(1-phenylethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-6-oxo-1-(1-phenylethyl)pyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-(1-phenylethyl)nicotinic acid methyl ester Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C(C=C(C2=O)Br)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=C(C=C(C2=O)Br)C(=O)OC

InChI

InChI=1S/C15H14BrNO3/c1-10(11-6-4-3-5-7-11)17-9-12(15(19)20-2)8-13(16)14(17)18/h3-10H,1-2H3