(phenylmethyl) 2-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]acetic acid benzyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N2O5/c1-26-18-10-8-16(12-19(18)27-2)17-9-11-20(24)23(22-17)13-21(25)28-14-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3