4-[1-(1,3-benzodioxol-5-yl)-1,2,3-triazol-4-yl]-2-methoxy-phenol

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-1,2,3-triazol-4-yl]-2-methoxy-phenol Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)triazol-4-yl]-2-methoxy-phenol CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-4-triazolyl]-2-methoxyphenol IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)triazol-4-yl]-2-methoxyphenol Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)triazol-4-yl]-2-methoxy-phenol Formula: C16H13N3O4 MolecularWeight: 311.29212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CN(N=N2)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN(N=N2)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C16H13N3O4/c1-21-15-6-10(2-4-13(15)20)12-8-19(18-17-12)11-3-5-14-16(7-11)23-9-22-14/h2-8,20H,9H2,1H3