3-(5-chloranylbenzotriazol-2-yl)-4,4-dimethyl-pentanoic acid

Systemtic Name: 3-(5-chloranylbenzotriazol-2-yl)-4,4-dimethyl-pentanoic acid Openeye Name: 3-(5-chlorobenzotriazol-2-yl)-4,4-dimethyl-pentanoic acid CAS Name: 3-(5-chloro-2-benzotriazolyl)-4,4-dimethylpentanoic acid IUPAC Name: 3-(5-chlorobenzotriazol-2-yl)-4,4-dimethylpentanoic acid Traditional Name: 3-(5-chlorobenzotriazol-2-yl)-4,4-dimethyl-valeric acid Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)O)N1N=C2C=CC(=CC2=N1)Cl

Isomeric SMILES

CC(C)(C)C(CC(=O)O)N1N=C2C=CC(=CC2=N1)Cl

InChI

InChI=1S/C13H16ClN3O2/c1-13(2,3)11(7-12(18)19)17-15-9-5-4-8(14)6-10(9)16-17/h4-6,11H,7H2,1-3H3,(H,18,19)