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

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C20H16BrF3N2O3 MolecularWeight: 469.25185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C)C=C(C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C)C=C(C1=O)Br

InChI

InChI=1S/C20H16BrF3N2O3/c1-3-29-17-9-12(8-16(21)18(17)27)7-15-11(2)25-26(19(15)28)14-6-4-5-13(10-14)20(22,23)24/h4-10,25H,3H2,1-2H3