(4E)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylhydrazinylidene)pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylhydrazinylidene)pyrazol-3-one Openeye Name: (4E)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylhydrazono)pyrazol-3-one CAS Name: (4E)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylhydrazinylidene)-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylhydrazinylidene)pyrazol-3-one Traditional Name: (4E)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylhydrazono)-2-pyrazolin-3-one Formula: C17H12F3N5O3 MolecularWeight: 391.30409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N5O3/c1-10-15(22-21-12-5-3-2-4-6-12)16(26)24(23-10)13-8-7-11(17(18,19)20)9-14(13)25(27)28/h2-9,21H,1H3/b22-15+