Ethyl N-[2'-(nitrophenyl)-o-ethynylphenyl]maloneanilide

SpectraBase Compound ID	JcBgBaWkHzm
InChI	InChI=1S/C19H16N2O5/c1-2-26-19(23)13-18(22)20-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)21(24)25/h3-10H,2,13H2,1H3,(H,20,22)
InChIKey	LMEFLAZYZNBXGR-UHFFFAOYSA-N Google Search
Mol Weight	352.35 g/mol
Molecular Formula	C19H16N2O5
Exact Mass	352.105922 g/mol

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SpectraBase Spectrum ID	Et4ApTwuGSc
Name	Ethyl N-[2'-(nitrophenyl)-o-ethynylphenyl]maloneanilide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	352.105921618 u
Formula	C19H16N2O5
InChI	InChI=1S/C19H16N2O5/c1-2-26-19(23)13-18(22)20-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)21(24)25/h3-10H,2,13H2,1H3,(H,20,22)
InChIKey	LMEFLAZYZNBXGR-UHFFFAOYSA-N
Molecular Weight	352.346 g/mol
SMILES	C=1(N(=O)=O)C(C#CC=2C(NC(CC(=O)OCC)=O)=CC=CC2)=CC=CC1