N-(cyanomethyl)-N'-(3-ethynylphenyl)ethanediamide

Systemtic Name: N-(cyanomethyl)-N'-(3-ethynylphenyl)ethanediamide Openeye Name: N-(cyanomethyl)-N'-(3-ethynylphenyl)oxamide CAS Name: N-(cyanomethyl)-N'-(3-ethynylphenyl)oxamide IUPAC Name: N-(cyanomethyl)-N'-(3-ethynylphenyl)oxamide Traditional Name: N-(cyanomethyl)-N'-(3-ethynylphenyl)oxamide Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C(=O)NCC#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C(=O)NCC#N

InChI

InChI=1S/C12H9N3O2/c1-2-9-4-3-5-10(8-9)15-12(17)11(16)14-7-6-13/h1,3-5,8H,7H2,(H,14,16)(H,15,17)