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Substance Name: 2H-1-Benzopyran, 2-(4-chlorophenyl)-6-methoxy-3-nitro-
RN: 57544-20-4
InChIKey: KXUIEPMQAMYTMI-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-Cl-N-O4

Molecular Weight

  • 317.727
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenyl)-6-methoxy-3-nitro-2H-1-benzopyran
  • 5-17-04-00590 (Beilstein Handbook Reference)
  • BRN 1392250

Systematic Name

  • 2H-1-Benzopyran, 2-(4-chlorophenyl)-6-methoxy-3-nitro-

Registry Numbers

CAS Registry Number

  • 57544-20-4

System Generated Number

  • 0057544204

Structure Descriptors

InChI

1S/C16H12ClNO4/c1-21-13-6-7-15-11(8-13)9-14(18(19)20)16(22-15)10-2-4-12(17)5-3-10/h2-9,16H,1H3

InChIKey

KXUIEPMQAMYTMI-UHFFFAOYSA-N

Smiles

C=1([C@@H](c2ccc(Cl)cc2)Oc2ccc(cc2C1)OC)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.