PharmaGSID 48505

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Systematic / IUPAC Name: 5-(2-Chlorophenyl)-3-methyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine

ID: Reference3041

Other Names:

Formula: C17H12ClN5O2

Spectral Data

PharmaGSID 48505 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 3
No. of Spectra 318
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 9/29/2015 1:00:18 PM
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Identificators

InChI InChI=1S/C17H12ClN5O2/c1-9-15-17(22-21-9)19-14-7-6-10(23(24)25)8-12(14)16(20-15)11-4-2-3-5-13(11)18/h2-8H,1H3,(H2,19,21,22)
InChI Key UVLBAPBHAHFJSY-UHFFFAOYSA-N
Canonical SMILES CC1=C2C(=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl)NN1
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Other Names

In Other Databases

ChemSpider 8060589
PubChem 9884915
ChEMBL CHEMBL1258821