1-(1,1-Dimethylethyl) 4-(4-carboxy-2-nitrophenyl)-1-piperazinecarboxylate

CAS Registry Number®

870703-72-3
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CAS Name

1-(1,1-Dimethylethyl) 4-(4-carboxy-2-nitrophenyl)-1-piperazinecarboxylate

Molecular Formula

C16H21N3O6

Molecular Mass

351.35

Cite this Page

1-(1,1-Dimethylethyl) 4-(4-carboxy-2-nitrophenyl)-1-piperazinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=870703-72-3 (retrieved 2024-05-02) (CAS RN: 870703-72-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21N3O6/c1-16(2,3)25-15(22)18-8-6-17(7-9-18)12-5-4-11(14(20)21)10-13(12)19(23)24/h4-5,10H,6-9H2,1-3H3,(H,20,21)

InChIKey

InChIKey=CYGRJUZYSXUAMM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Piperazinecarboxylic acid, 4-(4-carboxy-2-nitrophenyl)-, 1-(1,1-dimethylethyl) ester
  • 1-(1,1-Dimethylethyl) 4-(4-carboxy-2-nitrophenyl)-1-piperazinecarboxylate

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