8-(1,2,4-triazol-1-ylmethyl)-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-(1,2,4-triazol-1-ylmethyl)-4H-1,3-benzodioxin-6-amine Openeye Name: 8-(1,2,4-triazol-1-ylmethyl)-4H-1,3-benzodioxin-6-amine CAS Name: 8-(1,2,4-triazol-1-ylmethyl)-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-(1,2,4-triazol-1-ylmethyl)-4H-1,3-benzodioxin-6-amine Traditional Name: [8-(1,2,4-triazol-1-ylmethyl)-4H-1,3-benzodioxin-6-yl]amine Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C=NC=N3)N

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C=NC=N3)N

InChI

InChI=1S/C11H12N4O2/c12-10-1-8(3-15-6-13-5-14-15)11-9(2-10)4-16-7-17-11/h1-2,5-6H,3-4,7,12H2