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

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2-methyl-3-nitro-aniline Openeye Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-2-methyl-3-nitro-aniline CAS Name: N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-nitroaniline IUPAC Name: N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-nitroaniline Traditional Name: (4-bromo-2-fluoro-benzyl)-(2-methyl-3-nitro-phenyl)amine Formula: C14H12BrFN2O2 MolecularWeight: 339.159683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H12BrFN2O2/c1-9-13(3-2-4-14(9)18(19)20)17-8-10-5-6-11(15)7-12(10)16/h2-7,17H,8H2,1H3