ethyl 1-[3-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,4-dihydroxy-5-nitro-phenyl)-3-oxo-propyl]piperidine-4-carboxylate CAS Name: 1-[3-(3,4-dihydroxy-5-nitrophenyl)-3-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dihydroxy-5-nitrophenyl)-3-oxopropyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,4-dihydroxy-5-nitro-phenyl)-3-keto-propyl]isonipecotic acid ethyl ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O7/c1-2-26-17(23)11-3-6-18(7-4-11)8-5-14(20)12-9-13(19(24)25)16(22)15(21)10-12/h9-11,21-22H,2-8H2,1H3