[benzotriazol-1-yl-(3,4-dimethylphenyl)methyl] 3-chloranylbenzoate

Systemtic Name: [benzotriazol-1-yl-(3,4-dimethylphenyl)methyl] 3-chloranylbenzoate Openeye Name: [benzotriazol-1-yl-(3,4-dimethylphenyl)methyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [1-benzotriazolyl-(3,4-dimethylphenyl)methyl] ester IUPAC Name: [benzotriazol-1-yl-(3,4-dimethylphenyl)methyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [benzotriazol-1-yl-(3,4-dimethylphenyl)methyl] ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(N2C3=CC=CC=C3N=N2)OC(=O)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(N2C3=CC=CC=C3N=N2)OC(=O)C4=CC(=CC=C4)Cl)C

InChI

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