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Molecule : IW3

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H11Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,18H,17H2/b2-1+
2	InChIKey	InChI	1.03	AZVOHBNUGLEXNG-OWOJBTEDSA-N
3	SMILES	ACDLabs	11.02	Brc1cc(cc(Br)c1O)\C=C\c2ccc(N)cc2
4	SMILES	CACTVS	3.352	Nc1ccc(cc1)C=Cc2cc(Br)c(O)c(Br)c2
5	SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1C=Cc2cc(c(c(c2)Br)O)Br)N
6	Canonical SMILES	CACTVS	3.352	Nc1ccc(cc1)\C=C\c2cc(Br)c(O)c(Br)c2
7	Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N