2-[3-(5-chloranylbenzotriazol-2-yl)-5-methanoyl-phenyl]ethyl 2,2-dimethylbutanoate

Systemtic Name: 2-[3-(5-chloranylbenzotriazol-2-yl)-5-methanoyl-phenyl]ethyl 2,2-dimethylbutanoate Openeye Name: 2-[3-(5-chlorobenzotriazol-2-yl)-5-formyl-phenyl]ethyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 2-[3-(5-chloro-2-benzotriazolyl)-5-formylphenyl]ethyl ester IUPAC Name: 2-[3-(5-chlorobenzotriazol-2-yl)-5-formylphenyl]ethyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 2-[3-(5-chlorobenzotriazol-2-yl)-5-formyl-phenyl]ethyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCC1=CC(=CC(=C1)C=O)N2N=C3C=CC(=CC3=N2)Cl

Isomeric SMILES

CCC(C)(C)C(=O)OCCC1=CC(=CC(=C1)C=O)N2N=C3C=CC(=CC3=N2)Cl

InChI

InChI=1S/C21H22ClN3O3/c1-4-21(2,3)20(27)28-8-7-14-9-15(13-26)11-17(10-14)25-23-18-6-5-16(22)12-19(18)24-25/h5-6,9-13H,4,7-8H2,1-3H3