tert-butyl 4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-chloro-5-nitro-phenyl)methyl-methyl-carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-chloro-5-nitrophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(2-chloro-5-nitro-benzyl)-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H26ClN3O5 MolecularWeight: 411.87984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H26ClN3O5/c1-19(2,3)28-18(25)22-9-7-13(8-10-22)17(24)21(4)12-14-11-15(23(26)27)5-6-16(14)20/h5-6,11,13H,7-10,12H2,1-4H3