3-{10-cyano-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0(2,7)]trideca-2(7),3,5,9,11-pentaen-12-yl}propanoic acid

SpectraBase Compound ID	LfnD1YR4W1z
InChI	InChI=1S/C16H13N3O3/c1-9-10(6-7-14(20)21)16(22)19-13-5-3-2-4-12(13)18-15(19)11(9)8-17/h2-5,18H,6-7H2,1H3,(H,20,21)
InChIKey	QRWDFJMBLRVKEP-UHFFFAOYSA-N Google Search
Mol Weight	295.3 g/mol
Molecular Formula	C16H13N3O3
Exact Mass	295.095691 g/mol

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SpectraBase Spectrum ID	AM3lumdhVJ1
Name	3-{10-cyano-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0(2,7)]trideca-2(7),3,5,9,11-pentaen-12-yl}propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H13N3O3
InChI	InChI=1S/C16H13N3O3/c1-9-10(6-7-14(20)21)16(22)19-13-5-3-2-4-12(13)18-15(19)11(9)8-17/h2-5,18H,6-7H2,1H3,(H,20,21)
InChIKey	QRWDFJMBLRVKEP-UHFFFAOYSA-N
Molecular Weight	295.298 g/mol
SMILES	OC(CCC=1C(N2C(=C(C1C)C#N)Nc1ccccc21)=O)=O
SPLASH	splash10-000i-7390000000-c106a75ac86f75b4e222
Source of Spectrum	IY-2-4987-9
Synonyms	Pyrido[1,2-a][1,3]benzimidazole-2-propanoic acid, 4-cyano-1,5-dihydro-3-methyl-1-oxo- 3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid 3-(4-cyano-3-methyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid
Wiley ID	1657862