2-[(4-bromanyl-3-nitro-phenyl)methylamino]-N,4-dimethyl-pentanamide

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)methylamino]-N,4-dimethyl-pentanamide Openeye Name: 2-[(4-bromo-3-nitro-phenyl)methylamino]-N,4-dimethyl-pentanamide CAS Name: 2-[(4-bromo-3-nitrophenyl)methylamino]-N,4-dimethylpentanamide IUPAC Name: 2-[(4-bromo-3-nitrophenyl)methylamino]-N,4-dimethylpentanamide Traditional Name: 2-[(4-bromo-3-nitro-benzyl)amino]-N,4-dimethyl-valeramide Formula: C14H20BrN3O3 MolecularWeight: 358.2309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC)NCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NC)NCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H20BrN3O3/c1-9(2)6-12(14(19)16-3)17-8-10-4-5-11(15)13(7-10)18(20)21/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,19)