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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-cyanobenzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-2-7-16-14(20)17-12(18)9-21-13(19)11-5-3-10(8-15)4-6-11/h2-6H,1,7,9H2,(H2,16,17,18,20)