tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate

CAS Registry Number®

942271-61-6
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CAS Name

tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate

Molecular Formula

C16H23N3O4

Molecular Mass

321.37

Cite this Page

tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=942271-61-6 (retrieved 2024-08-23) (CAS RN: 942271-61-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)13-6-5-12(11-14(13)19(21)22)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3

InChIKey

InChIKey=PNTUIHOIJCQTSU-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C(C=CC1C(OC(C)(C)C)=O)N2CCN(C)CC2

Canonical SMILES

O=C(OC(C)(C)C)C1=CC=C(C=C1N(=O)=O)N2CCN(C)CC2

Other Names for this Substance

  • Benzoic acid, 4-(4-methyl-1-piperazinyl)-2-nitro-, 1,1-dimethylethyl ester
  • tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate
  • 4-(4-Methylpiperazin-1-yl)-2-nitrobenzoic acid tert-butyl ester