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Molecule : 4AN

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
2	InChIKey	InChI	1.03	SSMIFVHARFVINF-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	O=C2c1c3c(c(cc1)N)cccc3C(=O)N2
4	SMILES	CACTVS	3.341	Nc1ccc2C(=O)NC(=O)c3cccc1c23
5	SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N
6	Canonical SMILES	CACTVS	3.341	Nc1ccc2C(=O)NC(=O)c3cccc1c23
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N