| SpectraBase Spectrum ID |
4mMj6HXiemt |
| Name |
4H-Pyrazole-3-acetic acid, 4-[1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene]-1,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4S)- |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21N3O5 |
| InChI |
InChI=1S/C22H21N3O5/c1-14(23-12-15-8-9-18-19(10-15)30-13-29-18)21-17(11-20(26)28-2)24-25(22(21)27)16-6-4-3-5-7-16/h3-10,23H,11-13H2,1-2H3/b21-14- |
| InChIKey |
HDBDAVKNTHEOEJ-STZFKDTASA-N |
| Molecular Weight |
407.426 g/mol |
| SMILES |
N(Cc1cc2c(cc1)OCO2)\C(=C/1C(N(c2ccccc2)N=C1CC(OC)=O)=O)C |
| SPLASH |
splash10-000i-5900000000-ef379dd7d4090ce4d6d5 |
| Source of Spectrum |
IY-1-4534-3 |
| Synonyms |
2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester
Methyl 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate
Methyl 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate
Methyl 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate |
| Wiley ID |
1653326 |
![4H-Pyrazole-3-acetic acid, 4-[1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene]-1,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4S)-](/api/spectrum/4mMj6HXiemt/structure.png?h=300&w=458 "4H-Pyrazole-3-acetic acid, 4-[1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene]-1,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4S)-")
