3-(4-methoxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(4-methoxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole-5-carboxylic acid CAS Name: 3-(4-methoxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(4-methoxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(4-methoxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)-2-isoxazoline-5-carboxylic acid Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(C2)(CN3C=NC=N3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(C2)(CN3C=NC=N3)C(=O)O

InChI

InChI=1S/C14H14N4O4/c1-21-11-4-2-10(3-5-11)12-6-14(13(19)20,22-17-12)7-18-9-15-8-16-18/h2-5,8-9H,6-7H2,1H3,(H,19,20)