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Molecule : E2N

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C13H11F3N2O4/c1-18-9(10(12(20)21)11(19)17-18)6-22-8-4-2-3-7(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,19)(H,20,21)
2	InChIKey	InChI	1.03	ZOSMQYUVHWSYCZ-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(F)(F)F
4	SMILES	OpenEye OEToolkits	2.0.6	Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F
5	Canonical SMILES	CACTVS	3.385	Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(F)(F)F
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F