N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-2,4-bis(fluoranyl)-5-nitro-aniline

Systemtic Name: N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-2,4-bis(fluoranyl)-5-nitro-aniline Openeye Name: N-[(3-bromo-4-fluoro-phenyl)methyl]-2,4-difluoro-5-nitro-aniline CAS Name: N-[(3-bromo-4-fluorophenyl)methyl]-2,4-difluoro-5-nitroaniline IUPAC Name: N-[(3-bromo-4-fluorophenyl)methyl]-2,4-difluoro-5-nitroaniline Traditional Name: (3-bromo-4-fluoro-benzyl)-(2,4-difluoro-5-nitro-phenyl)amine Formula: C13H8BrF3N2O2 MolecularWeight: 361.11403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=CC(=C(C=C2F)F)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC(=C(C=C1CNC2=CC(=C(C=C2F)F)[N+](=O)[O-])Br)F

InChI

InChI=1S/C13H8BrF3N2O2/c14-8-3-7(1-2-9(8)15)6-18-12-5-13(19(20)21)11(17)4-10(12)16/h1-5,18H,6H2