4-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoylamino]-benzoic acid methyl ester

SpectraBase Compound ID	LCkQGq9yaD3
InChI	InChI=1S/C27H18N2O5/c1-34-27(33)17-11-13-19(14-12-17)28-24(30)18-7-2-8-20(15-18)29-25(31)21-9-3-5-16-6-4-10-22(23(16)21)26(29)32/h2-15H,1H3,(H,28,30)
InChIKey	WQUTXHZBNWNUGM-UHFFFAOYSA-N Google Search
Mol Weight	450.45 g/mol
Molecular Formula	C27H18N2O5
Exact Mass	450.121572 g/mol

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SpectraBase Spectrum ID	JkBO5ulIzVB
Name	4-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoylamino]-benzoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	450.121571683 u
Formula	C27H18N2O5
InChI	InChI=1S/C27H18N2O5/c1-34-27(33)17-11-13-19(14-12-17)28-24(30)18-7-2-8-20(15-18)29-25(31)21-9-3-5-16-6-4-10-22(23(16)21)26(29)32/h2-15H,1H3,(H,28,30)
InChIKey	WQUTXHZBNWNUGM-UHFFFAOYSA-N
Molecular Weight	450.450 g/mol
SMILES	C12=C3C(=CC=CC3=CC=C1)C(N(C2=O)C1=CC(=CC=C1)C(NC1=CC=C(C=C1)C(OC)=O)=O)=O