L-Valine, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-, methyl ester

SpectraBase Compound ID	3s5dtWPDdKg
InChI	InChI=1S/C17H16N2O4/c1-9(2)14(17(22)23-3)19-12(8-18)13-15(20)10-6-4-5-7-11(10)16(13)21/h4-7,9,14,19H,1-3H3/t14-/m0/s1
InChIKey	QMNWTEVGJCBXFU-AWEZNQCLSA-N Google Search
Mol Weight	312.32 g/mol
Molecular Formula	C17H16N2O4
Exact Mass	312.111007 g/mol

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SpectraBase Spectrum ID	7NU7tgEOj0N
Name	L-Valine, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-, methyl ester
CAS Registry Number	117457-14-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H16N2O4
InChI	InChI=1S/C17H16N2O4/c1-9(2)14(17(22)23-3)19-12(8-18)13-15(20)10-6-4-5-7-11(10)16(13)21/h4-7,9,14,19H,1-3H3/t14-/m0/s1
InChIKey	QMNWTEVGJCBXFU-AWEZNQCLSA-N
Molecular Weight	312.325 g/mol
SMILES	N(C(=C1C(c2ccccc2C1=O)=O)C#N)[C@](C(=O)OC)(C(C)C)[H]
SPLASH	splash10-0udi-0091000000-7e6f31cdda7915301abf
Source of Spectrum	KC-1988-543-5
Synonyms	2-(1'-Cyano-1'-(1''-methoxycarbonyl-butyl-amino)-methylene)-1,3-dioxoindane Methyl (2S)-2-{[cyano(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]amino}-3-methylbutanoate
Wiley ID	1313230