methyl 4-[[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]methyl]benzoate CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]methyl]benzoate Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]methyl]benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H20N2O5/c1-26-18-10-8-16(12-19(18)27-2)17-9-11-20(24)23(22-17)13-14-4-6-15(7-5-14)21(25)28-3/h4-12H,13H2,1-3H3