butyl 4-[(3-nitro-4-oxidanyl-phenyl)methyl]piperidine-1-carboxylate

Systemtic Name: butyl 4-[(3-nitro-4-oxidanyl-phenyl)methyl]piperidine-1-carboxylate Openeye Name: butyl 4-[(4-hydroxy-3-nitro-phenyl)methyl]piperidine-1-carboxylate CAS Name: 4-[(4-hydroxy-3-nitrophenyl)methyl]-1-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 4-[(4-hydroxy-3-nitrophenyl)methyl]piperidine-1-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-benzyl)piperidine-1-carboxylic acid butyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-2-3-10-24-17(21)18-8-6-13(7-9-18)11-14-4-5-16(20)15(12-14)19(22)23/h4-5,12-13,20H,2-3,6-11H2,1H3