(2S)-1-[(3-cyanophenyl)carbamoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(3-cyanophenyl)carbamoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(3-cyanophenyl)carbamoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3-cyanoanilino)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(3-cyanophenyl)carbamoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(3-cyanophenyl)carbamoyl]pyrrolidine-2-carboxylate Formula: C13H12N3O3- MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC2=CC=CC(=C2)C#N)C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)NC2=CC=CC(=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C13H13N3O3/c14-8-9-3-1-4-10(7-9)15-13(19)16-6-2-5-11(16)12(17)18/h1,3-4,7,11H,2,5-6H2,(H,15,19)(H,17,18)/p-1/t11-/m0/s1