ethyl 6-isocyano-5-methyl-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: ethyl 6-isocyano-5-methyl-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: ethyl 6-isocyano-5-methyl-2-(p-tolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 6-isocyano-5-methyl-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-isocyano-5-methyl-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 6-isocyano-5-methyl-2-(p-tolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid ethyl ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2/c1-5-23-17(22)13-14(18-4)11(3)21-16(13)19-15(20-21)12-8-6-10(2)7-9-12/h6-9H,5H2,1-3H3,(H,19,20)