1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]butan-1-one Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)OCC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)OCC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N3O4/c1-3-5-13(19)18-14(16-15(17-18)20-4-2)10-6-7-11-12(8-10)22-9-21-11/h6-8H,3-5,9H2,1-2H3