| SpectraBase Spectrum ID |
4cOIeylciex |
| Name |
m-{[1-(Morpholinomethyl)-2-oxo-3-indolinylidene]amino}benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.153206164 u |
| Formula |
C21H21N3O4 |
| InChI |
InChI=1S/C21H21N3O4/c1-27-21(26)15-5-4-6-16(13-15)22-19-17-7-2-3-8-18(17)24(20(19)25)14-23-9-11-28-12-10-23/h2-8,13H,9-12,14H2,1H3/b22-19- |
| InChIKey |
OIDHSBDQKZXTKK-QOCHGBHMSA-N |
| Molecular Weight |
379.416 g/mol |
| SMILES |
C=12C=CC=CC1N(C(\C2=N\C=1C=CC=C(C1)C(OC)=O)=O)CN1CCOCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.965577 |
![m-{[1-(Morpholinomethyl)-2-oxo-3-indolinylidene]amino}benzoic acid, methyl ester](/api/spectrum/4cOIeylciex/structure.png?h=300&w=458 "m-{[1-(Morpholinomethyl)-2-oxo-3-indolinylidene]amino}benzoic acid, methyl ester")
