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

Systemtic Name: (phenylmethyl) 2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-(6-keto-3-p-phenetyl-pyridazin-1-yl)acetic acid benzyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-2-26-18-10-8-17(9-11-18)19-12-13-20(24)23(22-19)14-21(25)27-15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3