2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3,6-bis(chloranyl)benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3,6-bis(chloranyl)benzenecarbonitrile Openeye Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-3,6-dichloro-benzonitrile CAS Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3,6-dichlorobenzonitrile IUPAC Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3,6-dichlorobenzonitrile Traditional Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-3,6-dichloro-benzonitrile Formula: C13H17Cl2N3O MolecularWeight: 302.19958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C(=C1Cl)C#N)N)Cl)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C(=C1Cl)C#N)N)Cl)O

InChI

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