7-isocyano-4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium

Systemtic Name: 7-isocyano-4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium Openeye Name: 7-isocyano-4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium CAS Name: 7-isocyano-4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium IUPAC Name: 7-isocyano-4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium Traditional Name: 7-isocyano-4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium Formula: C15H13N4+ MolecularWeight: 249.29052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=NN(C1)C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=NN(C1)C3=CC=CC=C3)[N+]#[C-]

InChI

InChI=1S/C15H13N4/c1-16-12-8-9-15-14(10-12)17-19(11-18(15)2)13-6-4-3-5-7-13/h3-10H,11H2,2H3/q+1