ethyl 4-[dimethylcarbamoyl-[(5-nitro-2-oxidanyl-phenyl)methyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[dimethylcarbamoyl-[(5-nitro-2-oxidanyl-phenyl)methyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[dimethylcarbamoyl-[(2-hydroxy-5-nitro-phenyl)methyl]amino]piperidine-1-carboxylate CAS Name: 4-[[dimethylamino(oxo)methyl]-[(2-hydroxy-5-nitrophenyl)methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[dimethylcarbamoyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[dimethylcarbamoyl-(2-hydroxy-5-nitro-benzyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H26N4O6 MolecularWeight: 394.42224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O6/c1-4-28-18(25)20-9-7-14(8-10-20)21(17(24)19(2)3)12-13-11-15(22(26)27)5-6-16(13)23/h5-6,11,14,23H,4,7-10,12H2,1-3H3