| SpectraBase Spectrum ID |
9LPrOyi3vuL |
| Name |
N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-[4-(2-methoxybenzoyl)-1-piperazinyl]-2-nitroaniline |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.232184760 u |
| Formula |
C28H32N4O6 |
| InChI |
InChI=1S/C28H32N4O6/c1-36-25-7-5-4-6-22(25)28(33)31-16-14-30(15-17-31)21-9-10-24(32(34)35)23(19-21)29-13-12-20-8-11-26(37-2)27(18-20)38-3/h4-11,18-19,29H,12-17H2,1-3H3 |
| InChIKey |
XCLJMZPIMGHSRQ-UHFFFAOYSA-N |
| Molecular Weight |
520.586 g/mol |
| SMILES |
C=1C=CC(C(N2CCN(C=3C=CC(N(=O)=O)=C(C3)NCCC=3C=C(OC)C(=CC3)OC)CC2)=O)=C(OC)C1 |
![N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-methoxybenzoyl)-1-piperazinyl]-2-nitroaniline](/api/spectrum/9LPrOyi3vuL/structure.png?h=300&w=458 "N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-methoxybenzoyl)-1-piperazinyl]-2-nitroaniline")
