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Substance Name: 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(phenylamino)-
RN: 171853-16-0
InChIKey: HXHLOWCVQDCYPV-KXDNKEIFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-N4-O

Molecular Weight

  • 302.3356
 
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Names and Synonyms

Synonyms

  • 2-(2-Cyano-3-amino-3-(phenylamino)prop-2-enylidene)indolin-3-one
  • 3-Amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3- (phenylamino)-2-propenenitrile

Systematic Name

  • 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(phenylamino)-

Registry Numbers

CAS Registry Number

  • 171853-16-0

System Generated Number

  • 0171853160

Structure Descriptors

InChI

1S/C18H14N4O/c19-11-12(18(20)21-13-6-2-1-3-7-13)10-16-17(23)14-8-4-5-9-15(14)22-16/h1-10,21-22H,20H2/b16-10-,18-12-

InChIKey

HXHLOWCVQDCYPV-KXDNKEIFSA-N

Smiles

c1ccc(cc1)N/C(=C(/C=C\2/C(=O)c3ccccc3N2)\C#N)/N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 610, 1995.