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Molecule : 2R1

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1
2	InChIKey	InChI	1.03	YMRVZAJPNVCTTL-MXFQXMHVSA-N
3	SMILES	ACDLabs	12.01	O=C(O)/C(N)=C(/CO)C1OC1
4	SMILES	CACTVS	3.385	NC(C(O)=O)=C(CO)[CH]1CO1
5	SMILES	OpenEye OEToolkits	1.7.6	C1C(O1)C(=C(C(=O)O)N)CO
6	Canonical SMILES	CACTVS	3.385	N\C(C(O)=O)=C(CO)\[C@@H]1CO1
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO