[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-acetamidopropanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-acetamidopropanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C16H16N4O4 MolecularWeight: 328.32264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N

Isomeric SMILES

CC(=O)NCCC(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N

InChI

InChI=1S/C16H16N4O4/c1-10(21)18-7-6-15(23)24-9-14(22)11(8-17)16-19-12-4-2-3-5-13(12)20-16/h2-5,19-20H,6-7,9H2,1H3,(H,18,21)