5-[bis(fluoranyl)methyl]-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-[bis(fluoranyl)methyl]-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-(difluoromethyl)-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(difluoromethyl)-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(difluoromethyl)-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-(difluoromethyl)-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one Formula: C9H6F2N4O3 MolecularWeight: 256.165746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)N=C(N2)C(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)N=C(N2)C(F)F

InChI

InChI=1S/C9H6F2N4O3/c10-7(11)8-12-9(16)14(13-8)5-2-1-3-6(4-5)15(17)18/h1-4,7H,(H,12,13,16)