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

Systemtic Name: methyl 4-[[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)amino]methyl]benzoic acid methyl ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-17(2,3)21-15(22)14(18)13(10-20-21)19-9-11-5-7-12(8-6-11)16(23)24-4/h5-8,10,19H,9H2,1-4H3