6-isocyano-7-(methylperoxymethyl)-2-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazole

Systemtic Name: 6-isocyano-7-(methylperoxymethyl)-2-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazole Openeye Name: 6-isocyano-7-(methylperoxymethyl)-2-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazole CAS Name: 6-isocyano-7-(methyldioxymethyl)-2-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazole IUPAC Name: 6-isocyano-7-(methylperoxymethyl)-2-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazole Traditional Name: 6-isocyano-7-(methylperoxymethyl)-2-phenyl-5H-pyrrolo[1,2-b][1,2,4]triazole Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

COOCC1=C(CN2C1=NC(=N2)C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

COOCC1=C(CN2C1=NC(=N2)C3=CC=CC=C3)[N+]#[C-]

InChI

InChI=1S/C14H12N4O2/c1-15-12-8-18-14(11(12)9-20-19-2)16-13(17-18)10-6-4-3-5-7-10/h3-7H,8-9H2,2H3