methyl 5-[[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)NCC2=CC(=C(C=C2)OC)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)NCC2=CC(=C(C=C2)OC)C(=O)OC)Cl

InChI

InChI=1S/C18H22ClN3O4/c1-18(2,3)22-16(23)15(19)13(10-21-22)20-9-11-6-7-14(25-4)12(8-11)17(24)26-5/h6-8,10,20H,9H2,1-5H3