2-[3-(5-chloranylbenzotriazol-2-yl)-4-methanoyl-phenyl]ethyl 2,2-dimethylbutanoate

Systemtic Name: 2-[3-(5-chloranylbenzotriazol-2-yl)-4-methanoyl-phenyl]ethyl 2,2-dimethylbutanoate Openeye Name: 2-[3-(5-chlorobenzotriazol-2-yl)-4-formyl-phenyl]ethyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 2-[3-(5-chloro-2-benzotriazolyl)-4-formylphenyl]ethyl ester IUPAC Name: 2-[3-(5-chlorobenzotriazol-2-yl)-4-formylphenyl]ethyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 2-[3-(5-chlorobenzotriazol-2-yl)-4-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(=C(C=C1)C=O)N2N=C3C=CC(=CC3=N2)Cl

Isomeric SMILES

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

InChI

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