[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H19N3O4/c1-11-3-5-14(6-4-11)21-9-13(7-17(21)23)18(24)25-10-16(22)15(8-19)12(2)20/h3-6,13,15,20H,7,9-10H2,1-2H3/t13-,15-/m0/s1