6-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxo-pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxo-4-pyridazinyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxopyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbethoxy-1-(4-fluorophenyl)-6-keto-pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H20FN3O6 MolecularWeight: 429.398403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2CC=CCC2C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2CC=CCC2C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O6/c1-2-31-21(30)18-16(23-19(27)14-5-3-4-6-15(14)20(28)29)11-17(26)25(24-18)13-9-7-12(22)8-10-13/h3-4,7-11,14-15H,2,5-6H2,1H3,(H,23,27)(H,28,29)