2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxyethyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: 2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxyethyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxyethyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]ethyl ester IUPAC Name: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxyethyl ester Formula: C18H18ClNO6 MolecularWeight: 379.79162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCOC(=O)C1=C[N+](=CC=C1)[O-])OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)OCCOC(=O)C1=C[N+](=CC=C1)[O-])OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO6/c1-18(2,26-15-7-5-14(19)6-8-15)17(22)25-11-10-24-16(21)13-4-3-9-20(23)12-13/h3-9,12H,10-11H2,1-2H3