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Molecule : HDI

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/m1/s1
2	InChIKey	InChI	1.03	AIXMJTYHQHQJLU-SNVBAGLBSA-N
3	SMILES	ACDLabs	10.04	O=C(OC)CC2ON=C(c1ccc(O)cc1)C2
4	SMILES	CACTVS	3.341	COC(=O)C[CH]1CC(=NO1)c2ccc(O)cc2
5	SMILES	OpenEye OEToolkits	1.5.0	COC(=O)CC1CC(=NO1)c2ccc(cc2)O
6	Canonical SMILES	CACTVS	3.341	COC(=O)C[C@H]1CC(=NO1)c2ccc(O)cc2
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O