3-[(4-bromanyl-3-nitro-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(4-bromanyl-3-nitro-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-bromo-3-nitro-phenyl)methylamino]azepan-2-one CAS Name: 3-[(4-bromo-3-nitrophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(4-bromo-3-nitrophenyl)methylamino]azepan-2-one Traditional Name: 3-[(4-bromo-3-nitro-benzyl)amino]azepan-2-one Formula: C13H16BrN3O3 MolecularWeight: 342.18844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrN3O3/c14-10-5-4-9(7-12(10)17(19)20)8-16-11-3-1-2-6-15-13(11)18/h4-5,7,11,16H,1-3,6,8H2,(H,15,18)