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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-cyanobenzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c1-2-6-15-12(16)9-18-13(17)11-5-3-4-10(7-11)8-14/h2-5,7H,1,6,9H2,(H,15,16)