| SpectraBase Spectrum ID |
6A6wOFh9Ki1 |
| Name |
{[(o-Isonicotinoylphenyl)carbamoyl]methyl}carbamic acid, benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.137556100 u |
| Formula |
C22H19N3O4 |
| InChI |
InChI=1S/C22H19N3O4/c26-20(14-24-22(28)29-15-16-6-2-1-3-7-16)25-19-9-5-4-8-18(19)21(27)17-10-12-23-13-11-17/h1-13H,14-15H2,(H,24,28)(H,25,26) |
| InChIKey |
RWNYMQCQOTXWRA-UHFFFAOYSA-N |
| Molecular Weight |
389.411 g/mol |
| SMILES |
N(C1=CC=CC=C1C(=O)C=1C=CN=CC1)C(CNC(OCC=1C=CC=CC1)=O)=O |
![{[(o-Isonicotinoylphenyl)carbamoyl]methyl}carbamic acid, benzyl ester](/api/spectrum/6A6wOFh9Ki1/structure.png?h=300&w=458 "{[(o-Isonicotinoylphenyl)carbamoyl]methyl}carbamic acid, benzyl ester")
