2-[2-cyanoethyl(phenyl)amino]ethyl methyl carbonate; ethanoic acid

Systemtic Name: 2-[2-cyanoethyl(phenyl)amino]ethyl methyl carbonate; ethanoic acid Openeye Name: acetic acid; 2-[N-(2-cyanoethyl)anilino]ethyl methyl carbonate CAS Name: acetic acid; carbonic acid 2-[N-(2-cyanoethyl)anilino]ethyl methyl ester IUPAC Name: acetic acid; 2-[N-(2-cyanoethyl)anilino]ethyl methyl carbonate Traditional Name: acetic acid; carbonic acid 2-[N-(2-cyanoethyl)anilino]ethyl methyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)OCCN(CCC#N)C1=CC=CC=C1

Isomeric SMILES

CC(=O)O.COC(=O)OCCN(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C13H16N2O3.C2H4O2/c1-17-13(16)18-11-10-15(9-5-8-14)12-6-3-2-4-7-12;1-2(3)4/h2-4,6-7H,5,9-11H2,1H3;1H3,(H,3,4)