[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H11N3O3/c14-6-1-7-16-12(17)9-19-13(18)11-4-2-10(8-15)3-5-11/h2-5H,1,7,9H2,(H,16,17)