(2R)-2-[3-methyl-4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]propanoic acid

Systemtic Name: (2R)-2-[3-methyl-4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]propanoic acid Openeye Name: (2R)-2-[3-methyl-5-oxo-4-(p-tolyl)-1,2,4-triazol-1-yl]propanoic acid CAS Name: (2R)-2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: (2R)-2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoic acid Traditional Name: (2R)-2-[5-keto-3-methyl-4-(p-tolyl)-1,2,4-triazol-1-yl]propionic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=O)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=O)[C@H](C)C(=O)O)C

InChI

InChI=1S/C13H15N3O3/c1-8-4-6-11(7-5-8)15-10(3)14-16(13(15)19)9(2)12(17)18/h4-7,9H,1-3H3,(H,17,18)/t9-/m1/s1