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Substance Name: 2-Propenoic acid, 3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester
RN: 29002-21-9
InChIKey: IPLNLGBQHIRCDU-RMKNXTFCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H11-N3-O6

Molecular Weight

  • 365.3
 
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Names and Synonyms

Synonyms

  • 7-Nitro-8-quinolinyl 3-(3-nitrophenyl)-2-propenoate
  • BRN 1555009

Systematic Name

  • 2-Propenoic acid, 3-(3-nitrophenyl)-, 7-nitro-8-quinolinyl ester

Registry Numbers

CAS Registry Number

  • 29002-21-9

System Generated Number

  • 0029002219

Structure Descriptors

InChI

1S/C18H11N3O6/c22-16(9-6-12-3-1-5-14(11-12)20(23)24)27-18-15(21(25)26)8-7-13-4-2-10-19-17(13)18/h1-11H/b9-6+

InChIKey

IPLNLGBQHIRCDU-RMKNXTFCSA-N

Smiles

C(\C=C\c1cc(ccc1)[N+](=O)[O-])(=O)Oc1c(ccc2cccnc12)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 776, 1973.