4a-Methyl 2-(phenylmethyl) 7-chloroindeno[1,2-e][1,3,4]oxadiazine-2,4a(3H,5H)-dicarboxylate

CAS Registry Number®

170917-89-2
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CAS Name

4a-Methyl 2-(phenylmethyl) 7-chloroindeno[1,2-e][1,3,4]oxadiazine-2,4a(3H,5H)-dicarboxylate

Molecular Formula

C20H17ClN2O5

Molecular Mass

400.81

Cite this Page

4a-Methyl 2-(phenylmethyl) 7-chloroindeno[1,2-e][1,3,4]oxadiazine-2,4a(3H,5H)-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=170917-89-2 (retrieved 2024-09-07) (CAS RN: 170917-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H17ClN2O5/c1-26-18(24)20-10-14-9-15(21)7-8-16(14)17(20)22-23(12-28-20)19(25)27-11-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3

InChIKey

InChIKey=YFVYPTZIEXOAIT-UHFFFAOYSA-N

SMILES

C(OC)(=O)C12C(C=3C(C1)=CC(Cl)=CC3)=NN(C(OCC4=CC=CC=C4)=O)CO2

Canonical SMILES

O=C(OCC=1C=CC=CC1)N2N=C3C=4C=CC(Cl)=CC4CC3(OC2)C(=O)OC

Other Names for this Substance

  • Indeno[1,2-e][1,3,4]oxadiazine-2,4a(3H,5H)-dicarboxylic acid, 7-chloro-, 4a-methyl 2-(phenylmethyl) ester
  • 4a-Methyl 2-(phenylmethyl) 7-chloroindeno[1,2-e][1,3,4]oxadiazine-2,4a(3H,5H)-dicarboxylate