1,5-dimethyl-4-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[2-nitro-4-(trifluoromethylsulfonyl)anilino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[2-nitro-4-(trifluoromethylsulfonyl)anilino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[2-nitro-4-(trifluoromethylsulfonyl)anilino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-(2-nitro-4-triflyl-anilino)-2-phenyl-3-pyrazolin-3-one Formula: C18H15F3N4O5S MolecularWeight: 456.39571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N4O5S/c1-11-16(17(26)24(23(11)2)12-6-4-3-5-7-12)22-14-9-8-13(10-15(14)25(27)28)31(29,30)18(19,20)21/h3-10,22H,1-2H3