5-azanyl-2-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-[3-chloro-4-(trifluoromethoxy)benzyl]-3-pyrazolin-3-one Formula: C11H9ClF3N3O2 MolecularWeight: 307.65627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C(=O)C=C(N2)N)Cl)OC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1CN2C(=O)C=C(N2)N)Cl)OC(F)(F)F

InChI

InChI=1S/C11H9ClF3N3O2/c12-7-3-6(1-2-8(7)20-11(13,14)15)5-18-10(19)4-9(16)17-18/h1-4,17H,5,16H2