methyl 3-(3-cyanophenyl)-1,2-oxazole-4-carboxylate; 1,2-oxazole

Systemtic Name: methyl 3-(3-cyanophenyl)-1,2-oxazole-4-carboxylate; 1,2-oxazole Openeye Name: isoxazole; methyl 3-(3-cyanophenyl)isoxazole-4-carboxylate CAS Name: 3-(3-cyanophenyl)-4-isoxazolecarboxylic acid methyl ester; isoxazole IUPAC Name: methyl 3-(3-cyanophenyl)-1,2-oxazole-4-carboxylate; 1,2-oxazole Traditional Name: 3-(3-cyanophenyl)isoxazole-4-carboxylic acid methyl ester; isoxazole Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CON=C1C2=CC=CC(=C2)C#N.C1=CON=C1

Isomeric SMILES

COC(=O)C1=CON=C1C2=CC=CC(=C2)C#N.C1=CON=C1

InChI

InChI=1S/C12H8N2O3.C3H3NO/c1-16-12(15)10-7-17-14-11(10)9-4-2-3-8(5-9)6-13;1-2-4-5-3-1/h2-5,7H,1H3;1-3H