SpectraBase Spectrum ID |
JGXHq5vsKXO |
Name |
4-Ethoxycarbonyl-9,10-diphenyl-3,4,9-diaza-8-oxabicyclo[5.3.0]deca-2,5-diene isomer |
Alternate Name(s) |
(3aS,8aR)-2,3-Diphenyl-2,3,3a,8a-tetrahydro-isoxazolo[4,5-d][1,2]diazepine-6-carboxylic acid ethyl ester
4-Ethoxycarbonyl-9,10-triphenyl-3,4,9-diaza-8-oxabicyclo[5.3.0]deca-2,5-diene isomer |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H21N3O3 |
InChI |
InChI=1S/C21H21N3O3/c1-2-26-21(25)23-14-13-19-18(15-22-23)20(16-9-5-3-6-10-16)24(27-19)17-11-7-4-8-12-17/h3-15,18-20H,2H2,1H3/t18-,19+,20?/m0/s1 |
InChIKey |
KHGHMKNLHIJVLO-ABZYKWASSA-N |
Molecular Weight |
363.417 g/mol |
SMILES |
[C@@]12(ON(C([C@]1(C=NN(C=C2)C(=O)OCC)[H])c1ccccc1)c1ccccc1)[H] |
SPLASH |
splash10-0a4i-0791000000-9abf30baef4c4942ca5f |
Source of Spectrum |
H1-34-502-7 |
Wiley ID |
754459 |