methyl 6-isocyano-2-(4-methoxyphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylate

Systemtic Name: methyl 6-isocyano-2-(4-methoxyphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylate Openeye Name: methyl 6-isocyano-2-(4-methoxyphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylate CAS Name: 6-isocyano-2-(4-methoxyphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid methyl ester IUPAC Name: methyl 6-isocyano-2-(4-methoxyphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylate Traditional Name: 6-isocyano-2-(4-methoxyphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid methyl ester Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN3C(=N2)C(=C(N3)[N+]#[C-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN3C(=N2)C(=C(N3)[N+]#[C-])C(=O)OC

InChI

InChI=1S/C14H11N5O3/c1-15-12-10(14(20)22-3)13-16-11(17-19(13)18-12)8-4-6-9(21-2)7-5-8/h4-7,18H,2-3H3