5-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-tert-butyl-4-chloranyl-4H-pyridazin-2-ium-3-one

Systemtic Name: 5-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-tert-butyl-4-chloranyl-4H-pyridazin-2-ium-3-one Openeye Name: 5-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one CAS Name: 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one IUPAC Name: 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one Traditional Name: 5-[2-(4-bromophenyl)-2-keto-ethoxy]-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one Formula: C16H17BrClN2O3+ MolecularWeight: 400.67478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrClN2O3/c1-16(2,3)20-15(22)14(18)13(8-19-20)23-9-12(21)10-4-6-11(17)7-5-10/h4-8,14H,9H2,1-3H3/q+1