| SpectraBase Spectrum ID |
2sJ8gbPg9Rb |
| Name |
Ethyl 4-(2,5-dimethyl-3-{(E)-[(3-nitrophenyl)imino]methyl}-1H-pyrrol-1-yl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.153206164 u |
| Formula |
C22H21N3O4 |
| InChI |
InChI=1S/C22H21N3O4/c1-4-29-22(26)17-8-10-20(11-9-17)24-15(2)12-18(16(24)3)14-23-19-6-5-7-21(13-19)25(27)28/h5-14H,4H2,1-3H3/b23-14+ |
| InChIKey |
PJXCGFBQGJQMBR-OEAKJJBVSA-N |
| Molecular Weight |
391.427 g/mol |
| SMILES |
C1(=C(C=C(N1C=1C=CC(=CC1)C(OCC)=O)C)\C=N\C1=CC=CC(=C1)N(=O)=O)C |
![Ethyl 4-(2,5-dimethyl-3-{(E)-[(3-nitrophenyl)imino]methyl}-1H-pyrrol-1-yl)benzoate](/api/spectrum/2sJ8gbPg9Rb/structure.png?h=300&w=458 "Ethyl 4-(2,5-dimethyl-3-{(E)-[(3-nitrophenyl)imino]methyl}-1H-pyrrol-1-yl)benzoate")
