2-[5-(2-ethoxy-2-oxidanylidene-ethyl)-1H-1,2,4-triazol-3-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[5-(2-ethoxy-2-oxidanylidene-ethyl)-1H-1,2,4-triazol-3-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[5-(2-ethoxy-2-oxo-ethyl)-1H-1,2,4-triazol-3-yl]-2-phenyl-acetic acid CAS Name: 2-[5-(2-ethoxy-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-2-phenylacetic acid IUPAC Name: 2-[5-(2-ethoxy-2-oxoethyl)-1H-1,2,4-triazol-3-yl]-2-phenylacetic acid Traditional Name: 2-[5-(2-ethoxy-2-keto-ethyl)-1H-1,2,4-triazol-3-yl]-2-phenyl-acetic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=NN1)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=NC(=NN1)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-2-21-11(18)8-10-15-13(17-16-10)12(14(19)20)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H,19,20)(H,15,16,17)