| SpectraBase Spectrum ID |
KWVMTQsiNYO |
| Name |
6-Amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.101170590 u |
| Formula |
C16H15N3O5 |
| InChI |
InChI=1S/C16H15N3O5/c1-3-23-16(20)13-9(2)24-15(18)12(8-17)14(13)10-5-4-6-11(7-10)19(21)22/h4-7,14H,3,18H2,1-2H3 |
| InChIKey |
OWNUPBHMJRSEAG-UHFFFAOYSA-N |
| Molecular Weight |
329.312 g/mol |
| SMILES |
C=1(C(C(C#N)=C(OC1C)N)C=1C=C(N(=O)=O)C=CC1)C(=O)OCC |
