4-[4-[[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl]carbonyl]-5-methyl-3-isoxazolyl]benzoic acid

CAS Registry Number®

1415559-66-8
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CAS Name

4-[4-[[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl]carbonyl]-5-methyl-3-isoxazolyl]benzoic acid

Molecular Formula

C22H19ClN4O6

Molecular Mass

470.86

Cite this Page

4-[4-[[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl]carbonyl]-5-methyl-3-isoxazolyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1415559-66-8 (retrieved 2024-08-10) (CAS RN: 1415559-66-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H19ClN4O6/c1-13-19(20(24-33-13)14-2-4-15(5-3-14)22(29)30)21(28)26-10-8-25(9-11-26)18-7-6-16(27(31)32)12-17(18)23/h2-7,12H,8-11H2,1H3,(H,29,30)

InChIKey

InChIKey=ZWNSQJAUGJITRJ-UHFFFAOYSA-N

SMILES

C(=O)(C=1C(=NOC1C)C2=CC=C(C(O)=O)C=C2)N3CCN(CC3)C4=C(Cl)C=C(N(=O)=O)C=C4

Canonical SMILES

O=C(O)C=1C=CC(=CC1)C2=NOC(=C2C(=O)N3CCN(C4=CC=C(C=C4Cl)N(=O)=O)CC3)C

Other Names for this Substance

  • Benzoic acid, 4-[4-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]carbonyl]-5-methyl-3-isoxazolyl]-
  • 4-[4-[[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl]carbonyl]-5-methyl-3-isoxazolyl]benzoic acid