3-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methylamino]azepan-2-one Openeye Name: 3-[(2,4-difluoro-5-nitro-phenyl)methylamino]azepan-2-one CAS Name: 3-[(2,4-difluoro-5-nitrophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2,4-difluoro-5-nitrophenyl)methylamino]azepan-2-one Traditional Name: 3-[(2,4-difluoro-5-nitro-benzyl)amino]azepan-2-one Formula: C13H15F2N3O3 MolecularWeight: 299.273306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F2N3O3/c14-9-6-10(15)12(18(20)21)5-8(9)7-17-11-3-1-2-4-16-13(11)19/h5-6,11,17H,1-4,7H2,(H,16,19)