methyl 5-cyano-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(5-acetyl-2-methoxy-phenyl)methyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-5-cyano-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-acetyl-2-methoxyphenyl)methyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-5-cyano-6-keto-nicotinic acid methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2C=C(C=C(C2=O)C#N)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2C=C(C=C(C2=O)C#N)C(=O)OC

InChI

InChI=1S/C18H16N2O5/c1-11(21)12-4-5-16(24-2)14(6-12)9-20-10-15(18(23)25-3)7-13(8-19)17(20)22/h4-7,10H,9H2,1-3H3