[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N=C(C=C2C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N=C(C=C2C)C)Cl

InChI

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