methyl 2-(4-bromanyl-2,6-dimethyl-phenoxy)-4-chloranyl-6-methyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 2-(4-bromanyl-2,6-dimethyl-phenoxy)-4-chloranyl-6-methyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 2-(4-bromo-2,6-dimethyl-phenoxy)-4-chloro-6-methyl-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-4-chloro-6-methyl-1-oxido-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-(4-bromo-2,6-dimethylphenoxy)-4-chloro-6-methyl-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-4-chloro-6-methyl-1-oxido-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C16H15BrClNO4 MolecularWeight: 400.6516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=CC(=[N+]2[O-])C)Cl)C(=O)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=CC(=[N+]2[O-])C)Cl)C(=O)OC)C)Br

InChI

InChI=1S/C16H15BrClNO4/c1-8-5-11(17)6-9(2)14(8)23-15-13(16(20)22-4)12(18)7-10(3)19(15)21/h5-7H,1-4H3