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

Systemtic Name: 4-[4-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Openeye Name: 4-[4-[(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate IUPAC Name: 4-[4-[(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzoate Formula: C20H13BrF3N2O5- MolecularWeight: 498.22683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrF3N2O5/c1-2-31-15-9-10(8-14(21)16(15)27)7-13-17(20(22,23)24)25-26(18(13)28)12-5-3-11(4-6-12)19(29)30/h3-9,25H,2H2,1H3,(H,29,30)/p-1