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

Systemtic Name: (phenylmethyl) 2-[3-(4-ethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(4-ethylphenyl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-(4-ethylphenyl)-6-oxo-1-pyridazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3-(4-ethylphenyl)-6-keto-pyridazin-1-yl]acetic acid benzyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-2-16-8-10-18(11-9-16)19-12-13-20(24)23(22-19)14-21(25)26-15-17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3