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Substance Name: Benzoic acid, 4-(7-chloro-2-(2-(3-nitrophenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
RN: 72889-48-6
InChIKey: QEDQIMSRLRTMTO-AWNIVKPZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H18-Cl-N3-O5

Molecular Weight

  • 475.8862
 
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Names and Synonyms

Synonym

  • Ethyl 4-(7-chloro-2-(2-(3-nitrophenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)benzoate

Systematic Name

  • Benzoic acid, 4-(7-chloro-2-(2-(3-nitrophenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 72889-48-6

System Generated Number

  • 0072889486

Structure Descriptors

InChI

1S/C25H18ClN3O5/c1-2-34-25(31)17-7-10-19(11-8-17)28-23(13-6-16-4-3-5-20(14-16)29(32)33)27-22-15-18(26)9-12-21(22)24(28)30/h3-15H,2H2,1H3/b13-6+

InChIKey

QEDQIMSRLRTMTO-AWNIVKPZSA-N

Smiles

CCOC(=O)c1ccc(cc1)n2c(nc3cc(ccc3c2=O)Cl)/C=C/c4cccc(c4)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 275, 1979.