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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CC(=O)N(C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C18H18ClN3O4/c1-11(21)14(7-20)16(23)10-26-18(25)13-6-17(24)22(9-13)8-12-4-2-3-5-15(12)19/h2-5,13-14,21H,6,8-10H2,1H3/t13-,14?/m0/s1