3-[2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid

SpectraBase Compound ID	LNlCGTE9P1S
InChI	InChI=1S/C16H15NO7/c1-8(18)13-14(9-2-3-10-11(6-9)24-7-23-10)17(5-4-12(19)20)16(22)15(13)21/h2-3,6,14,21H,4-5,7H2,1H3,(H,19,20)
InChIKey	VLMGQLUIYRCYFD-UHFFFAOYSA-N Google Search
Mol Weight	333.3 g/mol
Molecular Formula	C16H15NO7
Exact Mass	333.084852 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	qJxkL2cE2X
Name	3-[2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H15NO7
InChI	InChI=1S/C16H15NO7/c1-8(18)13-14(9-2-3-10-11(6-9)24-7-23-10)17(5-4-12(19)20)16(22)15(13)21/h2-3,6,14,21H,4-5,7H2,1H3,(H,19,20)
InChIKey	VLMGQLUIYRCYFD-UHFFFAOYSA-N
Molecular Weight	333.296 g/mol
SMILES	OC(CCN1C(C(=C(C1=O)O)C(=O)C)c1cc2OCOc2cc1)=O
SPLASH	splash10-0037-8961000000-39f398203d1261650ac9
Synonyms	3-[3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propionic acid 3-[3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid
Wiley ID	1453087