tert-butyl 4-(3-nitro-4-oxidanyl-phenyl)carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-nitro-4-oxidanyl-phenyl)carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-hydroxy-3-nitro-benzoyl)piperidine-1-carboxylate CAS Name: 4-[(4-hydroxy-3-nitrophenyl)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-hydroxy-3-nitrobenzoyl)piperidine-1-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-benzoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6/c1-17(2,3)25-16(22)18-8-6-11(7-9-18)15(21)12-4-5-14(20)13(10-12)19(23)24/h4-5,10-11,20H,6-9H2,1-3H3