[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C18H17BrClNO3 MolecularWeight: 410.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)Br)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)Br)Cl)C

InChI

InChI=1S/C18H17BrClNO3/c1-11-10-12(2)21-17(20)16(11)18(23)24-9-3-4-15(22)13-5-7-14(19)8-6-13/h5-8,10H,3-4,9H2,1-2H3