| SpectraBase Spectrum ID |
L5ou4f7pUAC |
| Name |
2-(1,3-Dioxo-1,3-dihydroisoindol-2-ylmethyl)-1H-benzoimidazole-5-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.080375576 u |
| Formula |
C17H10N4O2 |
| InChI |
InChI=1S/C17H10N4O2/c18-8-10-5-6-13-14(7-10)20-15(19-13)9-21-16(22)11-3-1-2-4-12(11)17(21)23/h1-7H,9H2,(H,19,20) |
| InChIKey |
AVQFHBIVPWRZCF-UHFFFAOYSA-N |
| Molecular Weight |
302.293 g/mol |
| SMILES |
C1(=CC=C2C(=C1)N=C(N2)CN1C(C2=CC=CC=C2C1=O)=O)C#N |
