| SpectraBase Spectrum ID |
11sTfaJdrIL |
| Name |
N-[2-(2,7-Dimethyl-1H-indol-3-yl)ethyl]-4-methyl-3-nitro-benzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.158291545 u |
| Formula |
C20H21N3O3 |
| InChI |
InChI=1S/C20H21N3O3/c1-12-7-8-15(11-18(12)23(25)26)20(24)21-10-9-16-14(3)22-19-13(2)5-4-6-17(16)19/h4-8,11,22H,9-10H2,1-3H3,(H,21,24) |
| InChIKey |
QKQVRBZONVOWPV-UHFFFAOYSA-N |
| Molecular Weight |
351.406 g/mol |
| SMILES |
CC=1C=2NC(=C(CCNC(C=3C=C(N(=O)=O)C(=CC3)C)=O)C2C=CC1)C |