methyl 6-isocyano-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: methyl 6-isocyano-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: methyl 6-isocyano-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 6-isocyano-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid methyl ester IUPAC Name: methyl 6-isocyano-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 6-isocyano-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid methyl ester Formula: C14H10N4O2 MolecularWeight: 266.2548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2N=C(NN2C=C1[N+]#[C-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2N=C(NN2C=C1[N+]#[C-])C3=CC=CC=C3

InChI

InChI=1S/C14H10N4O2/c1-15-10-8-18-13(11(10)14(19)20-2)16-12(17-18)9-6-4-3-5-7-9/h3-8H,2H3,(H,16,17)