methyl 2-[5-chloranyl-6-oxidanylidene-4-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-6-oxidanylidene-4-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-6-oxo-4-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-6-oxo-4-[(2,4,5-trimethoxyphenyl)methylamino]-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-6-oxo-4-[(2,4,5-trimethoxyphenyl)methylamino]pyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[(2,4,5-trimethoxybenzyl)amino]pyridazin-1-yl]benzoic acid methyl ester Formula: C22H22ClN3O6 MolecularWeight: 459.87958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl)OC)OC

InChI

InChI=1S/C22H22ClN3O6/c1-29-17-10-19(31-3)18(30-2)9-13(17)11-24-15-12-25-26(21(27)20(15)23)16-8-6-5-7-14(16)22(28)32-4/h5-10,12,24H,11H2,1-4H3