1,1-Dimethylethyl 4-(2-chloro-5-nitrobenzoyl)-1-piperazinecarboxylate

CAS Registry Number®

1383468-72-1
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CAS Name

1,1-Dimethylethyl 4-(2-chloro-5-nitrobenzoyl)-1-piperazinecarboxylate

Molecular Formula

C16H20ClN3O5

Molecular Mass

369.80

Cite this Page

1,1-Dimethylethyl 4-(2-chloro-5-nitrobenzoyl)-1-piperazinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1383468-72-1 (retrieved 2024-07-02) (CAS RN: 1383468-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20ClN3O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)12-10-11(20(23)24)4-5-13(12)17/h4-5,10H,6-9H2,1-3H3

InChIKey

InChIKey=RASQJXBIQRHSRB-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC(N(=O)=O)=CC=C1Cl)N2CCN(C(OC(C)(C)C)=O)CC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCN(C(=O)C2=CC(=CC=C2Cl)N(=O)=O)CC1

Other Names for this Substance

  • 1-Piperazinecarboxylic acid, 4-(2-chloro-5-nitrobenzoyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(2-chloro-5-nitrobenzoyl)-1-piperazinecarboxylate