3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-homoveratryl-1,2,3-benzotriazin-4-one Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C17H17N3O3/c1-22-15-8-7-12(11-16(15)23-2)9-10-20-17(21)13-5-3-4-6-14(13)18-19-20/h3-8,11H,9-10H2,1-2H3