2-[4-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(3,5-dichloro-2-hydroxy-benzyl)amino]phenyl]acetonitrile Formula: C15H12Cl2N2O MolecularWeight: 307.17458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NCC2=CC(=CC(=C2O)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CC#N)NCC2=CC(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C15H12Cl2N2O/c16-12-7-11(15(20)14(17)8-12)9-19-13-3-1-10(2-4-13)5-6-18/h1-4,7-8,19-20H,5,9H2