(4-methyl-2-oxidanyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-methyl-2-oxidanyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-hydroxy-4-methyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (2-hydroxy-4-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-hydroxy-4-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (2-hydroxy-4-methyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C19H18F3N3O4 MolecularWeight: 409.35913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C19H18F3N3O4/c1-12-2-4-14(17(26)10-12)18(27)24-8-6-23(7-9-24)15-5-3-13(19(20,21)22)11-16(15)25(28)29/h2-5,10-11,26H,6-9H2,1H3