2-[4-bromanyl-2-[[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]methyl]phenoxy]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-bromanyl-2-[[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]methyl]phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[4-bromo-2-[[2-(2-chloro-4-nitro-anilino)ethylamino]methyl]phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[4-bromo-2-[[2-(2-chloro-4-nitroanilino)ethylamino]methyl]phenoxy]-N-tert-butylacetamide IUPAC Name: 2-[4-bromo-2-[[2-(2-chloro-4-nitroanilino)ethylamino]methyl]phenoxy]-N-tert-butylacetamide Traditional Name: 2-[4-bromo-2-[[2-(2-chloro-4-nitro-anilino)ethylamino]methyl]phenoxy]-N-tert-butyl-acetamide Formula: C21H26BrClN4O4 MolecularWeight: 513.81254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H26BrClN4O4/c1-21(2,3)26-20(28)13-31-19-7-4-15(22)10-14(19)12-24-8-9-25-18-6-5-16(27(29)30)11-17(18)23/h4-7,10-11,24-25H,8-9,12-13H2,1-3H3,(H,26,28)