4-[[2,3-bis(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-[[2,3-bis(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-[(2,3-dibromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one CAS Name: 4-[(2,3-dibromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-[(2,3-dibromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Traditional Name: 4-[(2,3-dibromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C20H15Br2F3N2O3 MolecularWeight: 548.14791

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H15Br2F3N2O3/c1-3-30-15-8-11(16(21)17(22)18(15)28)7-14-10(2)26-27(19(14)29)13-6-4-5-12(9-13)20(23,24)25/h4-9,26H,3H2,1-2H3