2-[[2-(tert-butylamino)-1-oxidanyl-ethyl]amino]-6-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[[2-(tert-butylamino)-1-oxidanyl-ethyl]amino]-6-chloranyl-benzenecarbonitrile Openeye Name: 2-[[2-(tert-butylamino)-1-hydroxy-ethyl]amino]-6-chloro-benzonitrile CAS Name: 2-[[2-(tert-butylamino)-1-hydroxyethyl]amino]-6-chlorobenzonitrile IUPAC Name: 2-[[2-(tert-butylamino)-1-hydroxyethyl]amino]-6-chlorobenzonitrile Traditional Name: 2-[[2-(tert-butylamino)-1-hydroxy-ethyl]amino]-6-chloro-benzonitrile Formula: C13H18ClN3O MolecularWeight: 267.75452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O/c1-13(2,3)16-8-12(18)17-11-6-4-5-10(14)9(11)7-15/h4-6,12,16-18H,8H2,1-3H3