1UZ

4-(4-oxo-4H-chromen-2-yl)benzonitrile

Created:	2013-06-13
Last modified:	2013-10-30

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1 entries where 1UZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 1UZ

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Chemical Component Summary
Name	4-(4-oxo-4H-chromen-2-yl)benzonitrile
Systematic Name (OpenEye OEToolkits)	4-(4-oxidanylidenechromen-2-yl)benzenecarbonitrile
Formula	C₁₆ H₉ N O₂
Molecular Weight	247.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
SMILES	CACTVS	3.370	O=C1C=C(Oc2ccccc12)c3ccc(cc3)C#N
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N
Canonical SMILES	CACTVS	3.370	O=C1C=C(Oc2ccccc12)c3ccc(cc3)C#N
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N
InChI	InChI	1.03	InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)16-9-14(18)13-3-1-2-4-15(13)19-16/h1-9H
InChIKey	InChI	1.03	VDQXIGZGRYCKAE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2431802
PubChem	45116983
ChEMBL	CHEMBL2431802

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