tert-butyl (2S)-2-[(2,6-dimethyl-4-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2,6-dimethyl-4-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(2,6-dimethyl-4-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(2,6-dimethyl-4-nitroanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2,6-dimethyl-4-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2,6-dimethyl-4-nitro-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)OC(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-11-9-13(21(24)25)10-12(2)15(11)19-16(22)14-7-6-8-20(14)17(23)26-18(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,19,22)/t14-/m0/s1