4-(benzotriazol-1-yl)-4-methyl-pentan-2-one

Systemtic Name: 4-(benzotriazol-1-yl)-4-methyl-pentan-2-one Openeye Name: 4-(benzotriazol-1-yl)-4-methyl-pentan-2-one CAS Name: 4-(1-benzotriazolyl)-4-methyl-2-pentanone IUPAC Name: 4-(benzotriazol-1-yl)-4-methylpentan-2-one Traditional Name: 4-(benzotriazol-1-yl)-4-methyl-pentan-2-one Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(=O)CC(C)(C)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H15N3O/c1-9(16)8-12(2,3)15-11-7-5-4-6-10(11)13-14-15/h4-7H,8H2,1-3H3