N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-4-bromanyl-aniline

Systemtic Name: N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-4-bromanyl-aniline Openeye Name: 4-bromo-N-[(2,4-difluoro-5-nitro-phenyl)methyl]aniline CAS Name: 4-bromo-N-[(2,4-difluoro-5-nitrophenyl)methyl]aniline IUPAC Name: 4-bromo-N-[(2,4-difluoro-5-nitrophenyl)methyl]aniline Traditional Name: (4-bromophenyl)-(2,4-difluoro-5-nitro-benzyl)amine Formula: C13H9BrF2N2O2 MolecularWeight: 343.123566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CC(=C(C=C2F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NCC2=CC(=C(C=C2F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C13H9BrF2N2O2/c14-9-1-3-10(4-2-9)17-7-8-5-13(18(19)20)12(16)6-11(8)15/h1-6,17H,7H2