[3-(diethylamino)-2-oxidanyl-3-oxidanylidene-propyl] 4-cyanobenzoate

Systemtic Name: [3-(diethylamino)-2-oxidanyl-3-oxidanylidene-propyl] 4-cyanobenzoate Openeye Name: [3-(diethylamino)-2-hydroxy-3-oxo-propyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [3-(diethylamino)-2-hydroxy-3-oxopropyl] ester IUPAC Name: [3-(diethylamino)-2-hydroxy-3-oxopropyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [3-(diethylamino)-2-hydroxy-3-keto-propyl] ester Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-3-17(4-2)14(19)13(18)10-21-15(20)12-7-5-11(9-16)6-8-12/h5-8,13,18H,3-4,10H2,1-2H3