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

Systemtic Name: 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole-5-carboxylic acid CAS Name: 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-5-(1,2,4-triazol-1-ylmethyl)-2-isoxazoline-5-carboxylic acid Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CN2C=NC=N2)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(=NOC1(CN2C=NC=N2)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C14H11N5O3/c15-6-10-2-1-3-11(4-10)12-5-14(13(20)21,22-18-12)7-19-9-16-8-17-19/h1-4,8-9H,5,7H2,(H,20,21)