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

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-nitro-aniline Openeye Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-3-nitro-aniline CAS Name: N-[(4-bromo-2-fluorophenyl)methyl]-3-nitroaniline IUPAC Name: N-[(4-bromo-2-fluorophenyl)methyl]-3-nitroaniline Traditional Name: (4-bromo-2-fluoro-benzyl)-(3-nitrophenyl)amine Formula: C13H10BrFN2O2 MolecularWeight: 325.133103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrFN2O2/c14-10-5-4-9(13(15)6-10)8-16-11-2-1-3-12(7-11)17(18)19/h1-7,16H,8H2