methyl 5-cyano-1-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-1-[(2,5-dimethylphenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[(2,5-dimethylphenyl)methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-1-(2,5-dimethylbenzyl)-6-keto-nicotinic acid methyl ester Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C=C(C2=O)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C=C(C2=O)C#N)C(=O)OC

InChI

InChI=1S/C17H16N2O3/c1-11-4-5-12(2)14(6-11)9-19-10-15(17(21)22-3)7-13(8-18)16(19)20/h4-7,10H,9H2,1-3H3