methyl 3-cyano-5-[3-[(6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]benzoate

Systemtic Name: methyl 3-cyano-5-[3-[(6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]benzoate Openeye Name: methyl 3-cyano-5-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzoate CAS Name: 3-cyano-5-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-cyano-5-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzoate Traditional Name: 3-cyano-5-[3-[(6-keto-1H-pyridazin-3-yl)methyl]phenoxy]benzoic acid methyl ester Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C#N)OC2=CC=CC(=C2)CC3=NNC(=O)C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C#N)OC2=CC=CC(=C2)CC3=NNC(=O)C=C3

InChI

InChI=1S/C20H15N3O4/c1-26-20(25)15-7-14(12-21)10-18(11-15)27-17-4-2-3-13(9-17)8-16-5-6-19(24)23-22-16/h2-7,9-11H,8H2,1H3,(H,23,24)