[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C15H12ClNO5 MolecularWeight: 321.71248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Cl

InChI

InChI=1S/C15H12ClNO5/c1-21-14-3-2-11(8-12(14)16)13(18)9-22-15(19)10-4-6-17(20)7-5-10/h2-8H,9H2,1H3