2-[5-[[(3-methylphenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[(3-methylphenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]ethanoic acid Openeye Name: 2-[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid CAS Name: 2-[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid IUPAC Name: 2-[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid Traditional Name: 2-[5-(m-toluidinomethyl)-1H-1,2,4-triazol-3-yl]acetic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NC(=NN2)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NC(=NN2)CC(=O)O

InChI

InChI=1S/C12H14N4O2/c1-8-3-2-4-9(5-8)13-7-11-14-10(15-16-11)6-12(17)18/h2-5,13H,6-7H2,1H3,(H,17,18)(H,14,15,16)