2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile Structure
Systematic / IUPAC Name: 2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
ID: Reference5252
Other Names:
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-carb onitrile;
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile;
4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
Formula: C18H17ClN2O2
Spectral Data
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 7/25/2016 9:44:38 AM |
Identificators
| InChI | InChI=1S/C18H17ClN2O2/c1-18(2)7-13(22)16-14(8-18)23-17(21)12(9-20)15(16)10-3-5-11(19)6-4-10/h3-6,15H,7-8,21H2,1-2H3 |
| InChI Key | WDYBCSVEZBEZHB-UHFFFAOYSA-N |
| Canonical SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)C1)C |
| CAS | |
| Splash | |
| Other Names |
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-carb onitrile; 2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile; 4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo- |
In Other Databases
| ChEMBL | CHEMBL1082540 |
| PubChem | 2737747 |
| ChemSpider | 2019379 |