1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C12H8N4O3 MolecularWeight: 256.21692

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC(=N3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C12H8N4O3/c13-4-12-14-6-16(15-12)5-9(17)8-1-2-10-11(3-8)19-7-18-10/h1-3,6H,5,7H2