1-{(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-ethylurea
11512
Reference
1-{(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-ethylurea Structure
Systematic / IUPAC Name: 1-[(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea
ID: Reference11512
Other Names: NAT16-353078
Formula: C19H23N5O3
Spectral Data
1-{(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-ethylurea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2028 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/28/2022 8:56:28 AM |
Identificators
| InChI | InChI=1S/C19H23N5O3/c1-4-20-19(25)21-15-10-9-14(11-15)18-12(2)22-23(13(18)3)16-7-5-6-8-17(16)24(26)27/h5-10,14-15H,4,11H2,1-3H3,(H2,20,21,25)/t14-,15-/m1/s1 |
| InChI Key | OBOPSDSPEGTKCR-HUUCEWRRSA-N |
| Canonical SMILES | CCNC(=O)NC1CC(C=C1)C2=C(N(N=C2C)C3=CC=CC=C3[N+](=O)[O-])C |
| CAS | |
| Splash | |
| Other Names | NAT16-353078 |