[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl)C)C)C

InChI

InChI=1S/C18H18ClNO3/c1-10-7-15(13(4)12(3)11(10)2)16(21)9-23-18(22)14-5-6-17(19)20-8-14/h5-8H,9H2,1-4H3