(phenylmethyl) 2-[(2-fluoranyl-5-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(2-fluoranyl-5-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(2-fluoro-5-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[(2-fluoro-5-nitroanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-fluoro-5-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2-fluoro-5-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H18FN3O5 MolecularWeight: 387.361723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O5/c20-15-9-8-14(23(26)27)11-16(15)21-18(24)17-7-4-10-22(17)19(25)28-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,21,24)