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Substance Name: 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate
RN: 134682-95-4
UNII: G53XYM313C
InChIKey: GFQKECYCADMIJF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C17-H26-N2-O4

Molecular Weight

  • 322.402
 
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Names and Synonyms

Name of Substance

  • 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate

Synonyms

  • 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate
  • 4-N,N'-Dimethylamino-3-nitrobenzoic acid 2-ethylhexyl ester
  • CCRIS 3567
  • UNII-G53XYM313C

Systematic Names

  • 4-N,N-Dimethylamino-3-nitrobenzoic acid, 2-ethylhexyl ester
  • Benzoic acid, 4-(dimethylamino)-3-nitro-, 2-ethylhexyl ester

Registry Numbers

CAS Registry Number

  • 134682-95-4

FDA UNII

  • G53XYM313C

System Generated Number

  • 0134682954

Structure Descriptors

InChI

1S/C17H26N2O4/c1-5-7-8-13(6-2)12-23-17(20)14-9-10-15(18(3)4)16(11-14)19(21)22/h9-11,13H,5-8,12H2,1-4H3

InChIKey

GFQKECYCADMIJF-UHFFFAOYSA-N

Smiles

C(c1cc(c(cc1)N(C)C)[N+](=O)[O-])(=O)OC[C@@H](CCCC)CC