[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2R)-2-phthalimidopropionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(C#N)C(=N)C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

C[C@H](C(=O)OCC(=O)[C@@H](C#N)C(=N)C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C17H15N3O5/c1-9(19)13(7-18)14(21)8-25-17(24)10(2)20-15(22)11-5-3-4-6-12(11)16(20)23/h3-6,10,13,19H,8H2,1-2H3/t10-,13+/m1/s1