(2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) pyridine-4-carboxylate

Systemtic Name: (2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) pyridine-4-carboxylate Openeye Name: (6-acetyl-2-cyano-3,4-dimethyl-phenyl) pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (6-acetyl-2-cyano-3,4-dimethylphenyl) ester IUPAC Name: (6-acetyl-2-cyano-3,4-dimethylphenyl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (6-acetyl-2-cyano-3,4-dimethyl-phenyl) ester Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3/c1-10-8-14(12(3)20)16(15(9-18)11(10)2)22-17(21)13-4-6-19-7-5-13/h4-8H,1-3H3