2-[[2-(tert-butylamino)-1-oxidanyl-ethyl]amino]-3,6-bis(chloranyl)benzenecarbonitrile

Systemtic Name: 2-[[2-(tert-butylamino)-1-oxidanyl-ethyl]amino]-3,6-bis(chloranyl)benzenecarbonitrile Openeye Name: 2-[[2-(tert-butylamino)-1-hydroxy-ethyl]amino]-3,6-dichloro-benzonitrile CAS Name: 2-[[2-(tert-butylamino)-1-hydroxyethyl]amino]-3,6-dichlorobenzonitrile IUPAC Name: 2-[[2-(tert-butylamino)-1-hydroxyethyl]amino]-3,6-dichlorobenzonitrile Traditional Name: 2-[[2-(tert-butylamino)-1-hydroxy-ethyl]amino]-3,6-dichloro-benzonitrile Formula: C13H17Cl2N3O MolecularWeight: 302.19958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(NC1=C(C=CC(=C1C#N)Cl)Cl)O

Isomeric SMILES

CC(C)(C)NCC(NC1=C(C=CC(=C1C#N)Cl)Cl)O

InChI

InChI=1S/C13H17Cl2N3O/c1-13(2,3)17-7-11(19)18-12-8(6-16)9(14)4-5-10(12)15/h4-5,11,17-19H,7H2,1-3H3