methyl 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole-5-carboxylate CAS Name: 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NO1)C2=CC=CC(=C2)C#N)CN3C=NC=N3

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC=CC(=C2)C#N)CN3C=NC=N3

InChI

InChI=1S/C15H13N5O3/c1-22-14(21)15(8-20-10-17-9-18-20)6-13(19-23-15)12-4-2-3-11(5-12)7-16/h2-5,9-10H,6,8H2,1H3