1-(benzotriazol-1-yl)-4,4-dimethyl-pentan-3-one

Systemtic Name: 1-(benzotriazol-1-yl)-4,4-dimethyl-pentan-3-one Openeye Name: 1-(benzotriazol-1-yl)-4,4-dimethyl-pentan-3-one CAS Name: 1-(1-benzotriazolyl)-4,4-dimethyl-3-pentanone IUPAC Name: 1-(benzotriazol-1-yl)-4,4-dimethylpentan-3-one Traditional Name: 1-(benzotriazol-1-yl)-4,4-dimethyl-pentan-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCN1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)(C)C(=O)CCN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H17N3O/c1-13(2,3)12(17)8-9-16-11-7-5-4-6-10(11)14-15-16/h4-7H,8-9H2,1-3H3