Ethyl 5-amino-4-cyano-3-methyl-1-(4-methylphenyl)-1H-pyrrole-2-carboxylate

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Systematic / IUPAC Name: Ethyl 5-amino-4-cyano-3-methyl-1-(4-methylphenyl)-1H-pyrrole-2-carboxylate

ID: Reference3675

Other Names: 1H-Pyrrole-2-carboxylic acid, 5-amino-4-cyano-3-methyl-1-(4-methylphenyl)-, ethyl ester

Formula: C16H17N3O2

Spectral Data

Ethyl 5-amino-4-cyano-3-methyl-1-(4-methylphenyl)-1H-pyrrole-2-carboxylate 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/3/2016 8:06:53 AM
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Identificators

InChI InChI=1S/C16H17N3O2/c1-4-21-16(20)14-11(3)13(9-17)15(18)19(14)12-7-5-10(2)6-8-12/h5-8H,4,18H2,1-3H3
InChI Key GBEFADRGVWAFED-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)C)N)C#N)C
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Other Names 1H-Pyrrole-2-carboxylic acid, 5-amino-4-cyano-3-methyl-1-(4-methylphenyl)-, ethyl ester

In Other Databases

PubChem 2801210
ChemSpider 2079923