N,N-diethyl-1-[3-[2-nitro-3,4-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-[3-[2-nitro-3,4-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]piperidine-3-carboxamide Openeye Name: 1-[3-(3,4-dihydroxy-2-nitro-phenyl)-3-oxo-propyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[3-(3,4-dihydroxy-2-nitrophenyl)-3-oxopropyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dihydroxy-2-nitrophenyl)-3-oxopropyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[3-(3,4-dihydroxy-2-nitro-phenyl)-3-keto-propyl]-N,N-diethyl-nipecotamide Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CCC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)CCC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6/c1-3-21(4-2)19(26)13-6-5-10-20(12-13)11-9-15(23)14-7-8-16(24)18(25)17(14)22(27)28/h7-8,13,24-25H,3-6,9-12H2,1-2H3