7-nitroso-3-oxidanidyl-2-phenyl-1,4,5,6-tetrahydrobenzotriazol-3-ium

Systemtic Name: 7-nitroso-3-oxidanidyl-2-phenyl-1,4,5,6-tetrahydrobenzotriazol-3-ium Openeye Name: 7-nitroso-3-oxido-2-phenyl-1,4,5,6-tetrahydrobenzotriazol-3-ium CAS Name: 7-nitroso-3-oxido-2-phenyl-1,4,5,6-tetrahydrobenzotriazol-3-ium IUPAC Name: 7-nitroso-3-oxido-2-phenyl-1,4,5,6-tetrahydrobenzotriazol-3-ium Traditional Name: 7-nitroso-3-oxido-2-phenyl-1,4,5,6-tetrahydrobenzotriazol-3-ium Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2C(=[N+](N(N2)C3=CC=CC=C3)[O-])C1)N=O

Isomeric SMILES

C1CC(=C2C(=[N+](N(N2)C3=CC=CC=C3)[O-])C1)N=O

InChI

InChI=1S/C12H12N4O2/c17-14-10-7-4-8-11-12(10)13-15(16(11)18)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2