4-[1-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]ethyl]benzenecarbonitrile Openeye Name: 4-[1-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]ethyl]benzonitrile CAS Name: 4-[1-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]benzonitrile IUPAC Name: 4-[1-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]benzonitrile Traditional Name: 4-[1-[(3,5-dichloro-2-hydroxy-benzyl)amino]ethyl]benzonitrile Formula: C16H14Cl2N2O MolecularWeight: 321.20116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2N2O/c1-10(12-4-2-11(8-19)3-5-12)20-9-13-6-14(17)7-15(18)16(13)21/h2-7,10,20-21H,9H2,1H3