methyl 4-[[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]methyl]benzoate CAS Name: 4-[[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]methyl]benzoate Traditional Name: 4-[(6-keto-3-p-phenetyl-pyridazin-1-yl)methyl]benzoic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4/c1-3-27-18-10-8-16(9-11-18)19-12-13-20(24)23(22-19)14-15-4-6-17(7-5-15)21(25)26-2/h4-13H,3,14H2,1-2H3