Ethyl 7-[2-(3-cyanoanilino)-2-oxoethoxy]-4-oxo-4H-chromene-2-carboxylate

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Systematic / IUPAC Name: Ethyl 7-{2-[(3-cyanophenyl)amino]-2-oxoethoxy}-4-oxo-4H-chromene-2-carboxylate

ID: Reference3630

Other Names: 4H-1-Benzopyran-2-carboxylic acid, 7-{2-[(3-cyanophenyl)amino]-2-oxoethoxy}-4-oxo-, ethyl ester ;
Ethyl 7-{[(3-cyanophenyl)carbamoyl]methoxy}-4-oxo-4H-chromene-2-carboxylate

Formula: C21H16N2O6

Spectral Data

Ethyl 7-[2-(3-cyanoanilino)-2-oxoethoxy]-4-oxo-4H-chromene-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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 458
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/18/2016 9:32:55 AM
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Identificators

InChI InChI=1S/C21H16N2O6/c1-2-27-21(26)19-10-17(24)16-7-6-15(9-18(16)29-19)28-12-20(25)23-14-5-3-4-13(8-14)11-22/h3-10H,2,12H2,1H3,(H,23,25)
InChI Key HQAZNNQQISZJEU-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C#N
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Other Names 4H-1-Benzopyran-2-carboxylic acid, 7-{2-[(3-cyanophenyl)amino]-2-oxoethoxy}-4-oxo-, ethyl ester ;
Ethyl 7-{[(3-cyanophenyl)carbamoyl]methoxy}-4-oxo-4H-chromene-2-carboxylate

In Other Databases

ChemSpider 2091679
PubChem 2813276