4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,6-dinitro-4-(trifluoromethyl)anilino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,6-dinitro-4-(trifluoromethyl)anilino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,6-dinitro-4-(trifluoromethyl)anilino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,6-dinitro-4-(trifluoromethyl)anilino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H14F3N5O5 MolecularWeight: 437.32947

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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[N+](=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[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N5O5/c1-10-15(17(27)24(23(10)2)12-6-4-3-5-7-12)22-16-13(25(28)29)8-11(18(19,20)21)9-14(16)26(30)31/h3-9,22H,1-2H3