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

Systemtic Name: 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]amino]heptanenitrile Openeye Name: 2-(3,5-dichloro-4-hydroxy-anilino)heptanenitrile CAS Name: 2-(3,5-dichloro-4-hydroxyanilino)heptanenitrile IUPAC Name: 2-(3,5-dichloro-4-hydroxyanilino)heptanenitrile Traditional Name: 2-(3,5-dichloro-4-hydroxy-anilino)enanthonitrile Formula: C13H16Cl2N2O MolecularWeight: 287.18494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N2O/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