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

Systemtic Name: 4-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)oxymethyl]benzoic acid Openeye Name: 4-[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)oxymethyl]benzoic acid CAS Name: 4-[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)oxymethyl]benzoic acid IUPAC Name: 4-[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)oxymethyl]benzoic acid Traditional Name: 4-[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)oxymethyl]benzoic acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)OCC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)OCC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O4/c1-16(2,3)19-14(20)13(17)12(8-18-19)23-9-10-4-6-11(7-5-10)15(21)22/h4-8H,9H2,1-3H3,(H,21,22)