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

Systemtic Name: 7-isocyano-4-methyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one Openeye Name: 7-isocyano-4-methyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one CAS Name: 7-isocyano-4-methyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one IUPAC Name: 7-isocyano-4-methyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one Traditional Name: 7-isocyano-4-methyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one Formula: C15H11N4O+ MolecularWeight: 263.27404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N4O/c1-16-11-8-9-14-13(10-11)17-19(15(20)18(14)2)12-6-4-3-5-7-12/h3-10H,2H3/q+1