2-[4-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 2-[4-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 2-[4-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-triazol-1-yl]benzoic acid CAS Name: 2-[4-[(2,4-dimethylanilino)-oxomethyl]-5-methyl-1-triazolyl]benzoic acid IUPAC Name: 2-[4-[(2,4-dimethylphenyl)carbamoyl]-5-methyltriazol-1-yl]benzoic acid Traditional Name: 2-[4-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-triazol-1-yl]benzoic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3C(=O)O)C)C

InChI

InChI=1S/C19H18N4O3/c1-11-8-9-15(12(2)10-11)20-18(24)17-13(3)23(22-21-17)16-7-5-4-6-14(16)19(25)26/h4-10H,1-3H3,(H,20,24)(H,25,26)