4-[4-[(3-bromanyl-5-methoxy-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-methoxy-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-methoxy-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-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate IUPAC Name: 4-[4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzoate Formula: C19H11BrF3N2O5- MolecularWeight: 484.20025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C19H12BrF3N2O5/c1-30-14-8-9(7-13(20)15(14)26)6-12-16(19(21,22)23)24-25(17(12)27)11-4-2-10(3-5-11)18(28)29/h2-8,24H,1H3,(H,28,29)/p-1