Systematic / IUPAC Name: Methyl 3-(2,6-dichlorophenyl)-5-({(2E)-2-[(5-nitro-2-thienyl)methylene]hydrazino}carbonyl)-1,2-oxazole-4-carboxylate
ID: Reference3962
Other Names: 4,5-Isoxazoledicarboxylic acid, 3-(2,6-dichlorophenyl)-, 4-methyl ester, 5-{2-[(1E)-(5-nitro-2-thienyl)methylene]hydrazide}
Formula: C17H10Cl2N4O6S
Methyl 3-(2,6-dichlorophenyl)-5-({2-[(5-nitro-2-thienyl)methylidene]hydrazino}carbonyl)isoxazole-4-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 234 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 2/26/2016 7:24:42 AM |
InChI | InChI=1S/C17H10Cl2N4O6S/c1-28-17(25)13-14(12-9(18)3-2-4-10(12)19)22-29-15(13)16(24)21-20-7-8-5-6-11(30-8)23(26)27/h2-7H,1H3,(H,21,24)/b20-7+ |
InChI Key | OXHGKPBUHMDNOH-IFRROFPPSA-N |
Canonical SMILES | |
CAS | |
Splash | |
Other Names | 4,5-Isoxazoledicarboxylic acid, 3-(2,6-dichlorophenyl)-, 4-methyl ester, 5-{2-[(1E)-(5-nitro-2-thienyl)methylene]hydrazide} |