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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O3/c1-3-6-15-13(18)9(2)16-8-10-4-5-11(14)12(7-10)17(19)20/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,15,18)