N-[2-[(4-bromanyl-3-nitro-phenyl)methylamino]ethyl]-2-methyl-propanamide

Systemtic Name: N-[2-[(4-bromanyl-3-nitro-phenyl)methylamino]ethyl]-2-methyl-propanamide Openeye Name: N-[2-[(4-bromo-3-nitro-phenyl)methylamino]ethyl]-2-methyl-propanamide CAS Name: N-[2-[(4-bromo-3-nitrophenyl)methylamino]ethyl]-2-methylpropanamide IUPAC Name: N-[2-[(4-bromo-3-nitrophenyl)methylamino]ethyl]-2-methylpropanamide Traditional Name: N-[2-[(4-bromo-3-nitro-benzyl)amino]ethyl]-2-methyl-propionamide Formula: C13H18BrN3O3 MolecularWeight: 344.20432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCCNCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H18BrN3O3/c1-9(2)13(18)16-6-5-15-8-10-3-4-11(14)12(7-10)17(19)20/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18)