3-(4-fluoranyl-3-nitro-phenyl)-5-(2-methylpropyl)-3H-1,2,4-triazole

Systemtic Name: 3-(4-fluoranyl-3-nitro-phenyl)-5-(2-methylpropyl)-3H-1,2,4-triazole Openeye Name: 3-(4-fluoro-3-nitro-phenyl)-5-isobutyl-3H-1,2,4-triazole CAS Name: 3-(4-fluoro-3-nitrophenyl)-5-(2-methylpropyl)-3H-1,2,4-triazole IUPAC Name: 3-(4-fluoro-3-nitrophenyl)-5-(2-methylpropyl)-3H-1,2,4-triazole Traditional Name: 3-(4-fluoro-3-nitro-phenyl)-5-isobutyl-3H-1,2,4-triazole Formula: C12H13FN4O2 MolecularWeight: 264.255623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(N=N1)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NC(N=N1)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13FN4O2/c1-7(2)5-11-14-12(16-15-11)8-3-4-9(13)10(6-8)17(18)19/h3-4,6-7,12H,5H2,1-2H3