(4-chloranyl-3,5-dimethyl-phenyl) 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H18ClN3O2/c1-14-11-18(12-15(2)21(14)23)28-22(27)17-9-7-16(8-10-17)13-26-20-6-4-3-5-19(20)24-25-26/h3-12H,13H2,1-2H3