3,4-Bis(3-Methoxyanilino)cyclobut-3-ene-1,2-dione

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Systematic / IUPAC Name: 3,4-Bis[(3-methoxyphenyl)amino]-3-cyclobutene-1,2-dione

ID: Reference7099

Other Names: 3,4-Bis(m-anisidino)cyclobut-3-ene-1,2-quinone;
3-Cyclobutene-1,2-dione, 3,4-bis[(3-methoxyphenyl)amino]-

Formula: C18H16N2O4

Spectral Data

3,4-Bis(3-Methoxyanilino)cyclobut-3-ene-1,2-dione 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 11/28/2017 12:54:57 PM
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Identificators

InChI InChI=1S/C18H16N2O4/c1-23-13-7-3-5-11(9-13)19-15-16(18(22)17(15)21)20-12-6-4-8-14(10-12)24-2/h3-10,19-20H,1-2H3
InChI Key VQTMXGBNBYBMOF-UHFFFAOYSA-N
Canonical SMILES COC1=CC=CC(=C1)NC2=C(C(=O)C2=O)NC3=CC(=CC=C3)OC
CAS
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Other Names 3,4-Bis(m-anisidino)cyclobut-3-ene-1,2-quinone;
3-Cyclobutene-1,2-dione, 3,4-bis[(3-methoxyphenyl)amino]-

In Other Databases

ChemSpider 2102603
ChEMBL CHEMBL1603222
PubChem 2824412