4,7-dimethyl-6-nitro-1-oxidanidyl-2-phenyl-benzotriazol-1-ium

Systemtic Name: 4,7-dimethyl-6-nitro-1-oxidanidyl-2-phenyl-benzotriazol-1-ium Openeye Name: 4,7-dimethyl-6-nitro-1-oxido-2-phenyl-benzotriazol-1-ium CAS Name: 4,7-dimethyl-6-nitro-1-oxido-2-phenylbenzotriazol-1-ium IUPAC Name: 4,7-dimethyl-6-nitro-1-oxido-2-phenylbenzotriazol-1-ium Traditional Name: 4,7-dimethyl-6-nitro-1-oxido-2-phenyl-benzotriazol-1-ium Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=[N+](N(N=C12)C3=CC=CC=C3)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C2=[N+](N(N=C12)C3=CC=CC=C3)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O3/c1-9-8-12(18(20)21)10(2)14-13(9)15-16(17(14)19)11-6-4-3-5-7-11/h3-8H,1-2H3