[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H10N2O3/c1-2-7-15-12(16)9-18-13(17)11-5-3-10(8-14)4-6-11/h1,3-6H,7,9H2,(H,15,16)