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Substance Name: Benzoic acid, 4-methyl-3-nitro-
RN: 96-98-0
InChIKey: BBEWSMNRCUXQRF-UHFFFAOYSA-N

Note

  • A migration inhibitor, prevents breast cancer metastasis in SCID mice.

Molecular Formula

  • C8-H7-N-O4

Molecular Weight

  • 181.1463
 
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Names and Synonyms

Synonyms

  • 3-Nitro-4-methylbenzoic acid
  • 3-Nitro-para-toluic acid
  • 4-Methyl-3-nitrobenzoic acid
  • EC 202-549-3
  • EINECS 202-549-3
  • m-Nitro-p-toluic acid
  • NSC 50659

Systematic Names

  • 3-Nitro-p-toluic acid
  • Benzoic acid, 4-methyl-3-nitro-
  • p-Toluic acid, 3-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 96-98-0

System Generated Number

  • 0000096980

Structure Descriptors

InChI

1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey

BBEWSMNRCUXQRF-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1[N+](=O)[O-])C(=O)O