methyl 5-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-veratryl-nicotinic acid methyl ester Formula: C16H16BrNO5 MolecularWeight: 382.20594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=C(C=C(C2=O)Br)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=C(C=C(C2=O)Br)C(=O)OC)OC

InChI

InChI=1S/C16H16BrNO5/c1-21-13-5-4-10(6-14(13)22-2)8-18-9-11(16(20)23-3)7-12(17)15(18)19/h4-7,9H,8H2,1-3H3