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

Systemtic Name: 4-[bis(fluoranyl)methyl]-5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-one Openeye Name: 4-(difluoromethyl)-5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-one CAS Name: 4-(difluoromethyl)-5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 4-(difluoromethyl)-5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-one Traditional Name: 4-(difluoromethyl)-5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-one Formula: C10H8F2N4O3 MolecularWeight: 270.192326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8F2N4O3/c1-6-13-15(10(17)14(6)9(11)12)7-3-2-4-8(5-7)16(18)19/h2-5,9H,1H3