2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium (Q27094907)

2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium (English)

19 October 2016

chemical formula

C₂₀H₂₁ClNO₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC[N+]1=C(C(=C(C(=C1C)C(=O)OC(C)C)C2=CC=CC=C2Cl)C(=O)O)C(=O)O

1 reference

2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium (English)

InChI=1S/C20H20ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10H,5H2,1-4H3,(H-,23,24,25,26)/p+1

19 October 2016

Identifiers

InChI

1 reference

2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium (English)

HMSIYRVIPQHZBI-UHFFFAOYSA-O

19 October 2016

InChIKey

1 reference

2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium (English)

19 October 2016

1 reference

2,3-Dicarboxy-4-(2-chlorophenyl)-1-ethyl-5-(isopropoxycarbonyl)-6-methylpyridinium (English)

19 October 2016

1 reference

2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium (English)

19 October 2016

1 reference

1 reference

2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium (English)

19 October 2016

0 references

0 references

1 reference

2AMV (English)

19 October 2016

1 reference

3AMV (English)

19 October 2016

1 reference

1C8L (English)