Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate

CAS Registry Number®

122665-86-5
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CAS Name

Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate

Molecular Formula

C14H13N3O3

Molecular Mass

271.27

Cite this Page

Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122665-86-5 (retrieved 2024-07-29) (CAS RN: 122665-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113-114 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H13N3O3/c1-2-20-13(18)9-12-10-5-3-4-6-11(10)14(19)17(16-12)8-7-15/h3-6H,2,8-9H2,1H3

InChIKey

InChIKey=VSAMVTQRKTVMHH-UHFFFAOYSA-N

SMILES

C(C(OCC)=O)C=1C=2C(C(=O)N(CC#N)N1)=CC=CC2

Canonical SMILES

N#CCN1N=C(C=2C=CC=CC2C1=O)CC(=O)OCC

Other Names for this Substance

  • 1-Phthalazineacetic acid, 3-(cyanomethyl)-3,4-dihydro-4-oxo-, ethyl ester
  • Ethyl 3-(cyanomethyl)-3,4-dihydro-4-oxo-1-phthalazineacetate