N-[4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-chloranyl-6-nitro-phenyl]ethanamide

Systemtic Name: N-[4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-chloranyl-6-nitro-phenyl]ethanamide Openeye Name: N-[4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-chloro-6-nitro-phenyl]acetamide CAS Name: N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-chloro-6-nitrophenyl]acetamide IUPAC Name: N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-chloro-6-nitrophenyl]acetamide Traditional Name: N-[4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-chloro-6-nitro-phenyl]acetamide Formula: C14H20ClN3O4 MolecularWeight: 329.7793

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1Cl)C(CNC(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1Cl)C(CNC(C)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClN3O4/c1-8(19)17-13-10(15)5-9(6-11(13)18(21)22)12(20)7-16-14(2,3)4/h5-6,12,16,20H,7H2,1-4H3,(H,17,19)