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

Systemtic Name: 4-[[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)amino]methyl]benzoic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c1-16(2,3)20-14(21)13(17)12(9-19-20)18-8-10-4-6-11(7-5-10)15(22)23/h4-7,9,18H,8H2,1-3H3,(H,22,23)