[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-cyanobenzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-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=CC(=C1)C#N

Isomeric SMILES

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

InChI

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