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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3)C

InChI

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