[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H16N2O5/c1-12(21)13-3-5-14(6-4-13)15-7-8-16(25-15)18(23)24-11-17(22)20-10-2-9-19/h3-8H,2,10-11H2,1H3,(H,20,22)