2-[[3-(6-chloranylpyridazin-3-yl)oxyphenyl]methyl]-2-oxidanidyl-3H-isoindol-2-ium-1-one

Systemtic Name: 2-[[3-(6-chloranylpyridazin-3-yl)oxyphenyl]methyl]-2-oxidanidyl-3H-isoindol-2-ium-1-one Openeye Name: 2-[[3-(6-chloropyridazin-3-yl)oxyphenyl]methyl]-2-oxido-isoindolin-2-ium-1-one CAS Name: 2-[[3-[(6-chloro-3-pyridazinyl)oxy]phenyl]methyl]-2-oxido-3H-isoindol-2-ium-1-one IUPAC Name: 2-[[3-(6-chloropyridazin-3-yl)oxyphenyl]methyl]-2-oxido-3H-isoindol-2-ium-1-one Traditional Name: 2-[3-(6-chloropyridazin-3-yl)oxybenzyl]-2-oxido-isoindolin-2-ium-1-one Formula: C19H14ClN3O3 MolecularWeight: 367.78576

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)[N+]1(CC3=CC(=CC=C3)OC4=NN=C(C=C4)Cl)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)[N+]1(CC3=CC(=CC=C3)OC4=NN=C(C=C4)Cl)[O-]

InChI

InChI=1S/C19H14ClN3O3/c20-17-8-9-18(22-21-17)26-15-6-3-4-13(10-15)11-23(25)12-14-5-1-2-7-16(14)19(23)24/h1-10H,11-12H2