[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3/c1-18(2,3)14-7-4-12(5-8-14)15(21)11-23-17(22)13-6-9-16(19)20-10-13/h4-10H,11H2,1-3H3