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

Systemtic Name: methyl 3-(3-cyanophenyl)-5-(1,2,3,4-tetrazol-2-ylmethyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(3-cyanophenyl)-5-(tetrazol-2-ylmethyl)-4H-isoxazole-5-carboxylate CAS Name: 3-(3-cyanophenyl)-5-(2-tetrazolylmethyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(tetrazol-2-ylmethyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-cyanophenyl)-5-(tetrazol-2-ylmethyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NO1)C2=CC=CC(=C2)C#N)CN3N=CN=N3

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC=CC(=C2)C#N)CN3N=CN=N3

InChI

InChI=1S/C14H12N6O3/c1-22-13(21)14(8-20-17-9-16-19-20)6-12(18-23-14)11-4-2-3-10(5-11)7-15/h2-5,9H,6,8H2,1H3