methyl 4-[[3-(2,5-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2,5-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(2,5-dimethylphenyl)-6-oxo-pyridazin-1-yl]methyl]benzoate CAS Name: 4-[[3-(2,5-dimethylphenyl)-6-oxo-1-pyridazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]methyl]benzoate Traditional Name: 4-[[3-(2,5-dimethylphenyl)-6-keto-pyridazin-1-yl]methyl]benzoic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3/c1-14-4-5-15(2)18(12-14)19-10-11-20(24)23(22-19)13-16-6-8-17(9-7-16)21(25)26-3/h4-12H,13H2,1-3H3