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Molecule : PQ4

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H9NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,10H2,(H,12,13)/b8-5-
2	InChIKey	InChI	1.03	VWVGLOXKDVGAFA-YVMONPNESA-N
3	SMILES	ACDLabs	12.01	N\C(=C/c1ccc(O)cc1)C(O)=O
4	SMILES	CACTVS	3.385	NC(=Cc1ccc(O)cc1)C(O)=O
5	SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=C(C(=O)O)N)O
6	Canonical SMILES	CACTVS	3.385	N\C(=C/c1ccc(O)cc1)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1/C=C(/C(=O)O)\N)O