BQF

4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid

Created:	2019-02-28
Last modified:	2019-06-05

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1 entries where BQF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of BQF

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Chemical Component Summary
Name	4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	4-[(5-oxidanylidene-2,4-dihydro-1~{H}-chromeno[3,4-c]pyridin-3-yl)carbonyl]benzoic acid
Formula	C₂₀ H₁₅ N O₅
Molecular Weight	349.337
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(O)(c1ccc(cc1)C(=O)N4CC3=C(c2c(cccc2)OC3=O)CC4)=O
SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)C(=O)N2CCC3=C(C2)C(=O)Oc4ccccc34
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)C(=O)N2CCC3=C(C2)C(=O)Oc4ccccc34
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2
InChI	InChI	1.03	InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24)
InChIKey	InChI	1.03	OXUKTNZACAKVRG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138393352

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