3-bromanyl-8-(2-ethoxyethoxy)-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 3-bromanyl-8-(2-ethoxyethoxy)-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-bromo-8-(2-ethoxyethoxy)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-bromo-8-(2-ethoxyethoxy)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-bromo-8-(2-ethoxyethoxy)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-bromo-8-(2-ethoxyethoxy)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)Br)[O-]

Isomeric SMILES

CCOCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)Br)[O-]

InChI

InChI=1S/C13H13BrN4O3/c1-2-20-5-6-21-9-3-4-11-12(7-9)17-13(16-18(11)19)10(14)8-15-17/h3-4,7-8H,2,5-6H2,1H3