tert-butyl (2R)-2-[[[4-(diethylcarbamoyl)-2-nitro-phenyl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[[[4-(diethylcarbamoyl)-2-nitro-phenyl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[[4-(diethylcarbamoyl)-2-nitro-anilino]methyl]piperidine-1-carboxylate CAS Name: (2R)-2-[[4-[diethylamino(oxo)methyl]-2-nitroanilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[4-(diethylcarbamoyl)-2-nitroanilino]methyl]piperidine-1-carboxylate Traditional Name: (2R)-2-[[4-(diethylcarbamoyl)-2-nitro-anilino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1)NCC2CCCCN2C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H34N4O5/c1-6-24(7-2)20(27)16-11-12-18(19(14-16)26(29)30)23-15-17-10-8-9-13-25(17)21(28)31-22(3,4)5/h11-12,14,17,23H,6-10,13,15H2,1-5H3/t17-/m1/s1