ethyl 4-(1,3-benzodioxol-5-ylcarbonylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylcarbonylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxole-5-carbonylamino)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxole-5-carbonylamino)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-(piperonyloylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C21H16FN3O6 MolecularWeight: 425.366643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O6/c1-2-29-21(28)19-15(10-18(26)25(24-19)14-6-4-13(22)5-7-14)23-20(27)12-3-8-16-17(9-12)31-11-30-16/h3-10H,2,11H2,1H3,(H,23,27)