rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate
CAS Registry Number®
65673-63-4
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CAS Name
rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetateMolecular Formula
C17H17BrN2O5Molecular Mass
409.23Cite this Page
rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=65673-63-4 (retrieved ) (CAS RN: 65673-63-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
107-108 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1/C17H17BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3/t11-,13-/s2
InChIKey
InChIKey=SXJDCULZDFWMJC-BJBPJPDTNA-N
SMILES
[C@H](C(OCC)=O)(C#N)[C@@]1(C=2C(OC(N)=C1C(OCC)=O)=CC=C(Br)C2)[H]
Canonical SMILES
N#CC(C(=O)OCC)C1C2=CC(Br)=CC=C2OC(N)=C1C(=O)OCC
Other Names for this Substance
- 4H-1-Benzopyran-4-acetic acid, 2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-, ethyl ester, (αR,4R)-rel-
- rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate
- HA 14-1
- H 8787
Deleted or Replaced CAS Registry Numbers
445291-24-7
