(2-hydroxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone

Systemtic Name: (2-hydroxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone Openeye Name: (2-hydroxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone CAS Name: (2-hydroxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-pyrazolyl]methanone IUPAC Name: (2-hydroxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone Traditional Name: (2-hydroxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone Formula: C17H10F3N3O4 MolecularWeight: 377.27421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C17H10F3N3O4/c18-17(19,20)11-5-6-13(14(7-11)23(26)27)22-9-10(8-21-22)16(25)12-3-1-2-4-15(12)24/h1-9,24H