2-aminocarbonyl-2-[(4-bromophenyl)-cyano-methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-aminocarbonyl-2-[(4-bromophenyl)-cyano-methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[(4-bromophenyl)-cyano-methyl]-2-carbamoyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[(4-bromophenyl)-cyanomethyl]-2-carbamoyl-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(4-bromophenyl)-cyanomethyl]-2-carbamoylpyrrolidine-1-carboxylic acid Traditional Name: 2-[(4-bromophenyl)-cyano-methyl]-2-carbamoyl-pyrrolidine-1-carboxylic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)(C(C#N)C2=CC=C(C=C2)Br)C(=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)O)(C(C#N)C2=CC=C(C=C2)Br)C(=O)N

InChI

InChI=1S/C14H14BrN3O3/c15-10-4-2-9(3-5-10)11(8-16)14(12(17)19)6-1-7-18(14)13(20)21/h2-5,11H,1,6-7H2,(H2,17,19)(H,20,21)