2-[(2-chloranyl-4-nitro-phenoxy)methyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenoxy)methyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(2-chloro-4-nitro-phenoxy)methyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid CAS Name: 2-[(2-chloro-4-nitrophenoxy)methyl]-5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(2-chloro-4-nitrophenoxy)methyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Traditional Name: 2-[(2-chloro-4-nitro-phenoxy)methyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Formula: C18H19ClN4O6 MolecularWeight: 422.81966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2C(=O)O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2C(=O)O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C18H19ClN4O6/c19-14-8-11(23(27)28)4-6-16(14)29-10-13-3-5-15(22(13)18(25)26)17(24)21-7-1-2-12(21)9-20/h4,6,8,12-13,15H,1-3,5,7,10H2,(H,25,26)