SpectraBase Spectrum ID |
EBDbAXhDmyZ |
Name |
5-Cyano-5-ethoxycarbonyl-3-methylbenzo[3,4]azocin-1(2H)-1,4,6-trione |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H14N2O5 |
InChI |
InChI=1S/C16H14N2O5/c1-3-23-15(22)16(8-17)12(19)9(2)18-14(21)11-7-5-4-6-10(11)13(16)20/h4-7,9H,3H2,1-2H3,(H,18,21) |
InChIKey |
MHWGOIIDMOYIPT-UHFFFAOYSA-N |
Molecular Weight |
314.297 g/mol |
SMILES |
N1C(C(C(C(c2c(C1=O)cccc2)=O)(C(=O)OCC)C#N)=O)C |
SPLASH |
splash10-04i0-0099000000-56b8986a63055cab1487 |
Source of Spectrum |
H1-38-758-17 |
Synonyms |
ethyl 5-cyano-3-methyl-1,4,6-trioxo-1,2,3,4,5,6-hexahydro-2-benzazocine-5-carboxylate |
Wiley ID |
756302 |