2-[3-(propan-2-yloxymethyl)-1H-1,2,4-triazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(propan-2-yloxymethyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(isopropoxymethyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(propan-2-yloxymethyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(propan-2-yloxymethyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(isopropoxymethyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C8H13N3O3 MolecularWeight: 199.20712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=NNC(=N1)CC(=O)O

Isomeric SMILES

CC(C)OCC1=NNC(=N1)CC(=O)O

InChI

InChI=1S/C8H13N3O3/c1-5(2)14-4-7-9-6(10-11-7)3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)(H,9,10,11)