methyl 2-[5-chloranyl-4-[2-(3-fluoranylphenoxy)ethylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[2-(3-fluoranylphenoxy)ethylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[2-(3-fluorophenoxy)ethylamino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[2-(3-fluorophenoxy)ethylamino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[2-(3-fluorophenoxy)ethylamino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[2-(3-fluorophenoxy)ethylamino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C20H17ClFN3O4 MolecularWeight: 417.818083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCOC3=CC(=CC=C3)F)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCOC3=CC(=CC=C3)F)Cl

InChI

InChI=1S/C20H17ClFN3O4/c1-28-20(27)15-7-2-3-8-17(15)25-19(26)18(21)16(12-24-25)23-9-10-29-14-6-4-5-13(22)11-14/h2-8,11-12,23H,9-10H2,1H3