methyl 2-[6-(4-methylphenyl)-3-oxidanyl-4-oxidanylidene-2-(phenylcarbonyl)-1H-pyridazin-3-yl]ethanoate

Systemtic Name: methyl 2-[6-(4-methylphenyl)-3-oxidanyl-4-oxidanylidene-2-(phenylcarbonyl)-1H-pyridazin-3-yl]ethanoate Openeye Name: methyl 2-[2-benzoyl-3-hydroxy-4-oxo-6-(p-tolyl)-1H-pyridazin-3-yl]acetate CAS Name: 2-[2-benzoyl-3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridazin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-benzoyl-3-hydroxy-6-(4-methylphenyl)-4-oxo-1H-pyridazin-3-yl]acetate Traditional Name: 2-[2-benzoyl-3-hydroxy-4-keto-6-(p-tolyl)-1H-pyridazin-3-yl]acetic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)C(N(N2)C(=O)C3=CC=CC=C3)(CC(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)C(N(N2)C(=O)C3=CC=CC=C3)(CC(=O)OC)O

InChI

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