7-chloranyl-1-oxidanidyl-3-(4-propan-2-yloxypyrazol-1-yl)-2H-1,2,3-benzotriazin-1-ium

Systemtic Name: 7-chloranyl-1-oxidanidyl-3-(4-propan-2-yloxypyrazol-1-yl)-2H-1,2,3-benzotriazin-1-ium Openeye Name: 7-chloro-3-(4-isopropoxypyrazol-1-yl)-1-oxido-2H-1,2,3-benzotriazin-1-ium CAS Name: 7-chloro-1-oxido-3-(4-propan-2-yloxy-1-pyrazolyl)-2H-1,2,3-benzotriazin-1-ium IUPAC Name: 7-chloro-1-oxido-3-(4-propan-2-yloxypyrazol-1-yl)-2H-1,2,3-benzotriazin-1-ium Traditional Name: 7-chloro-3-(4-isopropoxypyrazol-1-yl)-1-oxido-2H-1,2,3-benzotriazin-1-ium Formula: C13H14ClN5O2 MolecularWeight: 307.73556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CN(N=C1)N2C=C3C=CC(=CC3=[N+](N2)[O-])Cl

Isomeric SMILES

CC(C)OC1=CN(N=C1)N2C=C3C=CC(=CC3=[N+](N2)[O-])Cl

InChI

InChI=1S/C13H14ClN5O2/c1-9(2)21-12-6-15-17(8-12)18-7-10-3-4-11(14)5-13(10)19(20)16-18/h3-9,16H,1-2H3