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Molecule : EY7

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16)
2	InChIKey	InChI	1.03	CTIQZKAWWUSNIN-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	OC(=O)CCc2c(nc1c(cccc1)n2)OC
4	SMILES	CACTVS	3.385	COc1nc2ccccc2nc1CCC(O)=O
5	SMILES	OpenEye OEToolkits	2.0.6	COc1c(nc2ccccc2n1)CCC(=O)O
6	Canonical SMILES	CACTVS	3.385	COc1nc2ccccc2nc1CCC(O)=O
7	Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1c(nc2ccccc2n1)CCC(=O)O