4-[(2-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

Systemtic Name: 4-[(2-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Openeye Name: 4-[(2-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one CAS Name: 4-[(2-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-[(2-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Traditional Name: 4-[(2-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C19H14BrF3N2O3 MolecularWeight: 455.22527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F)C=C3C=C(C(=O)C=C3Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F)C=C3C=C(C(=O)C=C3Br)OC

InChI

InChI=1S/C19H14BrF3N2O3/c1-10-14(6-11-7-17(28-2)16(26)9-15(11)20)18(27)25(24-10)13-5-3-4-12(8-13)19(21,22)23/h3-9,24H,1-2H3