methyl 2-[3-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]-4,4-dimethyl-pentanoate

Systemtic Name: methyl 2-[3-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]-4,4-dimethyl-pentanoate Openeye Name: methyl 2-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]-4,4-dimethyl-pentanoate CAS Name: 2-[3-(5-chloro-2-benzotriazolyl)-4-hydroxyphenyl]-4,4-dimethylpentanoic acid methyl ester IUPAC Name: methyl 2-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]-4,4-dimethylpentanoate Traditional Name: 2-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]-4,4-dimethyl-valeric acid methyl ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-20(2,3)11-14(19(26)27-4)12-5-8-18(25)17(9-12)24-22-15-7-6-13(21)10-16(15)23-24/h5-10,14,25H,11H2,1-4H3