2-tert-butyl-4-chloranyl-5-(4-nitrophenoxy)-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(4-nitrophenoxy)-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(4-nitrophenoxy)-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-(4-nitrophenoxy)-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-(4-nitrophenoxy)-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-(4-nitrophenoxy)-4H-pyridazin-2-ium-3-one Formula: C14H15ClN3O4+ MolecularWeight: 324.7396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN3O4/c1-14(2,3)17-13(19)12(15)11(8-16-17)22-10-6-4-9(5-7-10)18(20)21/h4-8,12H,1-3H3/q+1