(phenylmethyl) (2S)-2-[(5-nitropyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(5-nitropyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(5-nitro-2-pyridyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(5-nitro-2-pyridinyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(5-nitropyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(5-nitro-2-pyridyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H18N4O5 MolecularWeight: 370.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c23-17(20-16-9-8-14(11-19-16)22(25)26)15-7-4-10-21(15)18(24)27-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,19,20,23)/t15-/m0/s1