3,4-dimethyl-5-[4-(phenylcarbonyl)-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[4-(phenylcarbonyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-(4-benzoyltriazol-1-yl)-4,5-dimethyl-benzoic acid CAS Name: 3-(4-benzoyl-1-triazolyl)-4,5-dimethylbenzoic acid IUPAC Name: 3-(4-benzoyltriazol-1-yl)-4,5-dimethylbenzoic acid Traditional Name: 3-(4-benzoyltriazol-1-yl)-4,5-dimethyl-benzoic acid Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)N2C=C(N=N2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)N2C=C(N=N2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H15N3O3/c1-11-8-14(18(23)24)9-16(12(11)2)21-10-15(19-20-21)17(22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,23,24)