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

Systemtic Name: methyl 6-isocyano-2-(4-methoxyphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: methyl 6-isocyano-2-(4-methoxyphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 6-isocyano-2-(4-methoxyphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid methyl ester IUPAC Name: methyl 6-isocyano-2-(4-methoxyphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 6-isocyano-2-(4-methoxyphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid methyl ester Formula: C15H12N4O3 MolecularWeight: 296.28078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C(=CN3N2)[N+]#[C-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C(=CN3N2)[N+]#[C-])C(=O)OC

InChI

InChI=1S/C15H12N4O3/c1-16-11-8-19-14(12(11)15(20)22-3)17-13(18-19)9-4-6-10(21-2)7-5-9/h4-8H,2-3H3,(H,17,18)