2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]amino]heptanenitrile hydrochloride

Systemtic Name: 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]amino]heptanenitrile hydrochloride Openeye Name: 2-(3,5-dichloro-4-hydroxy-anilino)heptanenitrile hydrochloride CAS Name: 2-(3,5-dichloro-4-hydroxyanilino)heptanenitrile hydrochloride IUPAC Name: 2-(3,5-dichloro-4-hydroxyanilino)heptanenitrile hydrochloride Traditional Name: 2-(3,5-dichloro-4-hydroxy-anilino)enanthonitrile hydrochloride Formula: C13H17Cl3N2O MolecularWeight: 323.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#N)NC1=CC(=C(C(=C1)Cl)O)Cl.Cl

Isomeric SMILES

CCCCCC(C#N)NC1=CC(=C(C(=C1)Cl)O)Cl.Cl

InChI

InChI=1S/C13H16Cl2N2O.ClH/c1-2-3-4-5-9(8-16)17-10-6-11(14)13(18)12(15)7-10;/h6-7,9,17-18H,2-5H2,1H3;1H