(phenylmethyl) 2-[6-oxidanylidene-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[6-oxidanylidene-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]ethanoate Openeye Name: benzyl 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetate CAS Name: 2-[6-oxo-3-(2,4,5-trimethylphenyl)-1-pyridazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetate Traditional Name: 2-[6-keto-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetic acid benzyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=O)C=C2)CC(=O)OCC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H22N2O3/c1-15-11-17(3)19(12-16(15)2)20-9-10-21(25)24(23-20)13-22(26)27-14-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3