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

Systemtic Name: N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-3-bromanyl-aniline Openeye Name: 3-bromo-N-[(2,4-difluoro-5-nitro-phenyl)methyl]aniline CAS Name: 3-bromo-N-[(2,4-difluoro-5-nitrophenyl)methyl]aniline IUPAC Name: 3-bromo-N-[(2,4-difluoro-5-nitrophenyl)methyl]aniline Traditional Name: (3-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(=C1)Br)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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