2-(4-bromanyl-2-fluoranyl-5-nitro-phenyl)-4,5-dimethyl-1,2,4-triazol-3-one

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-5-nitro-phenyl)-4,5-dimethyl-1,2,4-triazol-3-one Openeye Name: 2-(4-bromo-2-fluoro-5-nitro-phenyl)-4,5-dimethyl-1,2,4-triazol-3-one CAS Name: 2-(4-bromo-2-fluoro-5-nitrophenyl)-4,5-dimethyl-1,2,4-triazol-3-one IUPAC Name: 2-(4-bromo-2-fluoro-5-nitrophenyl)-4,5-dimethyl-1,2,4-triazol-3-one Traditional Name: 2-(4-bromo-2-fluoro-5-nitro-phenyl)-4,5-dimethyl-1,2,4-triazol-3-one Formula: C10H8BrFN4O3 MolecularWeight: 331.097923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C)C2=CC(=C(C=C2F)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)N1C)C2=CC(=C(C=C2F)Br)[N+](=O)[O-]

InChI

InChI=1S/C10H8BrFN4O3/c1-5-13-15(10(17)14(5)2)9-4-8(16(18)19)6(11)3-7(9)12/h3-4H,1-2H3