(3E)-3-[benzotriazol-1-yl-(4-methoxyphenyl)methylidene]-4,4-dimethyl-pentan-2-one

Systemtic Name: (3E)-3-[benzotriazol-1-yl-(4-methoxyphenyl)methylidene]-4,4-dimethyl-pentan-2-one Openeye Name: (3E)-3-[benzotriazol-1-yl-(4-methoxyphenyl)methylene]-4,4-dimethyl-pentan-2-one CAS Name: (3E)-3-[1-benzotriazolyl-(4-methoxyphenyl)methylidene]-4,4-dimethyl-2-pentanone IUPAC Name: (3E)-3-[benzotriazol-1-yl-(4-methoxyphenyl)methylidene]-4,4-dimethylpentan-2-one Traditional Name: (E)-4-(benzotriazol-1-yl)-3-tert-butyl-4-(4-methoxyphenyl)but-3-en-2-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=C(C=C1)OC)N2C3=CC=CC=C3N=N2)C(C)(C)C

Isomeric SMILES

CC(=O)/C(=C(\C1=CC=C(C=C1)OC)/N2C3=CC=CC=C3N=N2)/C(C)(C)C

InChI

InChI=1S/C21H23N3O2/c1-14(25)19(21(2,3)4)20(15-10-12-16(26-5)13-11-15)24-18-9-7-6-8-17(18)22-23-24/h6-13H,1-5H3/b20-19-