3-[5-oxidanylidene-1-(phenylmethyl)-2H-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: 3-[5-oxidanylidene-1-(phenylmethyl)-2H-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-(1-benzyl-5-oxo-2H-triazol-4-yl)propanoic acid CAS Name: 3-[5-oxo-1-(phenylmethyl)-2H-triazol-4-yl]propanoic acid IUPAC Name: 3-(1-benzyl-5-oxo-2H-triazol-4-yl)propanoic acid Traditional Name: 3-(1-benzyl-5-keto-2H-triazol-4-yl)propionic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=NN2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=NN2)CCC(=O)O

InChI

InChI=1S/C12H13N3O3/c16-11(17)7-6-10-12(18)15(14-13-10)8-9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H,16,17)