Propoxycarbazone

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Systematic / IUPAC Name: N-{[2-(Methoxycarbonyl)phenyl]sulfonyl}-4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazole-1-carboximidic acid

ID: Reference2881

Other Names: (4,5-Dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-ylcarbonyl)(2-methoxycarbonylphenylsulfonyl)azanide;
2-(2-Methoxycarbonyl-phenylsulfonylaminocarbonyl)-4-methyl-5-propoxy-2,4-dihydro-3H-1,2,4-triazole-3-one;
Benzoic acid, 2-({[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl), methyl ester ;
Methyl 2-{[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}benzoate

Formula: C15H18N4O7S

Class: Pesticides/Herbicides

Spectral Data

Propoxycarbazone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 221
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/26/2015 3:14:27 PM
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Identificators

InChI InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)
InChI Key JTHMVYBOQLDDIY-UHFFFAOYSA-N
Canonical SMILES CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
CAS 145026819
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Other Names (4,5-Dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-ylcarbonyl)(2-methoxycarbonylphenylsulfonyl)azanide;
2-(2-Methoxycarbonyl-phenylsulfonylaminocarbonyl)-4-methyl-5-propoxy-2,4-dihydro-3H-1,2,4-triazole-3-one;
Benzoic acid, 2-({[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl), methyl ester ;
Methyl 2-{[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}benzoate

In Other Databases

ChemIDPlus 181274157
ChEMBL CHEMBL1882497
ChemSpider 154427
PubChem 177355