2-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium Openeye Name: 2-(4-chloro-2-fluoro-5-methoxy-phenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium CAS Name: 2-(4-chloro-2-fluoro-5-methoxyphenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium IUPAC Name: 2-(4-chloro-2-fluoro-5-methoxyphenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium Traditional Name: 2-(4-chloro-2-fluoro-5-methoxy-phenyl)-1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium Formula: C13H13ClFN3O2 MolecularWeight: 297.712623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2N=C3CCCCC3=[N+]2[O-])F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N2N=C3CCCCC3=[N+]2[O-])F)Cl

InChI

InChI=1S/C13H13ClFN3O2/c1-20-13-7-12(9(15)6-8(13)14)17-16-10-4-2-3-5-11(10)18(17)19/h6-7H,2-5H2,1H3