(3,4,5-trimethoxyphenyl)methyl 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid (3,4,5-trimethoxybenzyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6/c1-26-17-11-14(12-18(27-2)20(17)28-3)13-29-21(25)16-9-10-19(24)23(22-16)15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3