1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C=NC(=N2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C=NC(=N2)C#N)OC

InChI

InChI=1S/C13H12N4O3/c1-19-11-4-3-9(5-12(11)20-2)10(18)7-17-8-15-13(6-14)16-17/h3-5,8H,7H2,1-2H3