7-chloranyl-3-[(3-nitrophenyl)methylsulfonyl]-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 7-chloranyl-3-[(3-nitrophenyl)methylsulfonyl]-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 7-chloro-3-[(3-nitrophenyl)methylsulfonyl]-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 7-chloro-3-[(3-nitrophenyl)methylsulfonyl]-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 7-chloro-3-[(3-nitrophenyl)methylsulfonyl]-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 7-chloro-3-(3-nitrobenzyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium Formula: C14H9ClN4O5S MolecularWeight: 380.76306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)C2=NC3=C(C=C(C=C3)Cl)[N+](=N2)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)C2=NC3=C(C=C(C=C3)Cl)[N+](=N2)[O-]

InChI

InChI=1S/C14H9ClN4O5S/c15-10-4-5-12-13(7-10)18(20)17-14(16-12)25(23,24)8-9-2-1-3-11(6-9)19(21)22/h1-7H,8H2