ethyl 2-cyanoethanoate; 1-phenylhexan-1-one

Systemtic Name: ethyl 2-cyanoethanoate; 1-phenylhexan-1-one Openeye Name: ethyl 2-cyanoacetate; 1-phenylhexan-1-one CAS Name: 2-cyanoacetic acid ethyl ester; 1-phenyl-1-hexanone IUPAC Name: ethyl 2-cyanoacetate; 1-phenylhexan-1-one Traditional Name: 2-cyanoacetic acid ethyl ester; 1-phenylhexan-1-one Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=CC=C1.CCOC(=O)CC#N

Isomeric SMILES

CCCCCC(=O)C1=CC=CC=C1.CCOC(=O)CC#N

InChI

InChI=1S/C12H16O.C5H7NO2/c1-2-3-5-10-12(13)11-8-6-4-7-9-11;1-2-8-5(7)3-4-6/h4,6-9H,2-3,5,10H2,1H3;2-3H2,1H3