methyl 1-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(2-bromo-4,5-diethoxy-phenyl)methyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-5-cyano-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 1-(2-bromo-4,5-diethoxy-benzyl)-5-cyano-6-keto-nicotinic acid methyl ester Formula: C19H19BrN2O5 MolecularWeight: 435.26856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C=C(C=C(C2=O)C#N)C(=O)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C=C(C=C(C2=O)C#N)C(=O)OC)Br)OCC

InChI

InChI=1S/C19H19BrN2O5/c1-4-26-16-7-13(15(20)8-17(16)27-5-2)10-22-11-14(19(24)25-3)6-12(9-21)18(22)23/h6-8,11H,4-5,10H2,1-3H3