4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoic acid

Systemtic Name: 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoic acid Openeye Name: 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoic acid CAS Name: 4-[1-imidazolyl-(3-methyl-5-benzotriazolyl)methyl]benzoic acid IUPAC Name: 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoic acid Traditional Name: 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoic acid Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)C(=O)O)N4C=CN=C4)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)C(=O)O)N4C=CN=C4)N=N1

InChI

InChI=1S/C18H15N5O2/c1-22-16-10-14(6-7-15(16)20-21-22)17(23-9-8-19-11-23)12-2-4-13(5-3-12)18(24)25/h2-11,17H,1H3,(H,24,25)