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Molecule : Q3O

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h1-2,9H,(H,7,8)(H,10,11)
2	InChIKey	InChI	1.03	NLNJLZRQHDZFBV-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	OC1=C(NC=CC1=O)C(=O)O
4	SMILES	CACTVS	3.385	OC(=O)C1=C(O)C(=O)C=CN1
5	SMILES	OpenEye OEToolkits	2.0.7	C1=CNC(=C(C1=O)O)C(=O)O
6	Canonical SMILES	CACTVS	3.385	OC(=O)C1=C(O)C(=O)C=CN1
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	C1=CNC(=C(C1=O)O)C(=O)O