7-((4-Fluorophenyl)amino)-9-(ethoxycarbonyl)-6-hydroxy-2H-pyrano[2,3-f]isoquinoline

SpectraBase Compound ID	1Z1g2Y4FWSe
InChI	InChI=1S/C21H17FN2O4/c1-2-27-21(26)16-11-15-18(17(25)10-12-4-3-9-28-19(12)15)20(24-16)23-14-7-5-13(22)6-8-14/h3-8,10-11,25H,2,9H2,1H3,(H,23,24)
InChIKey	CMXRQAVRNXCZFI-UHFFFAOYSA-N Google Search
Mol Weight	380.38 g/mol
Molecular Formula	C21H17FN2O4
Exact Mass	380.117235 g/mol

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SpectraBase Spectrum ID	JTR6DdqxQKI
Name	7-((4-Fluorophenyl)amino)-9-(ethoxycarbonyl)-6-hydroxy-2H-pyrano[2,3-f]isoquinoline
CAS Registry Number	129708-12-9
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H17FN2O4
InChI	InChI=1S/C21H17FN2O4/c1-2-27-21(26)16-11-15-18(17(25)10-12-4-3-9-28-19(12)15)20(24-16)23-14-7-5-13(22)6-8-14/h3-8,10-11,25H,2,9H2,1H3,(H,23,24)
InChIKey	CMXRQAVRNXCZFI-UHFFFAOYSA-N
Molecular Weight	380.375 g/mol
SMILES	Oc1cc2C=CCOc2c2c1c(nc(c2)C(=O)OCC)Nc1ccc(cc1)F
SPLASH	splash10-053r-0009000000-86e4d4f393607eebe897
Source of Spectrum	J-55-6145-7
Synonyms	ethyl 7-(4-fluoroanilino)-6-hydroxy-2H-pyrano[2,3-f]isoquinoline-9-carboxylate
Wiley ID	1359709