[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-benzamidopropanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-benzamidopropanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(C#N)C(=N)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)[C@@H](C#N)C(=N)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H17N3O4/c1-10(18)13(8-17)14(20)9-23-16(22)11(2)19-15(21)12-6-4-3-5-7-12/h3-7,11,13,18H,9H2,1-2H3,(H,19,21)/t11-,13-/m0/s1