3-(azocan-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride

Systemtic Name: 3-(azocan-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 3-(azocan-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride CAS Name: 3-(1-azocanyl)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(azocan-1-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(azocan-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride Formula: C16H23ClN2O5 MolecularWeight: 358.81722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CCC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H22N2O5.ClH/c19-14(6-9-17-7-4-2-1-3-5-8-17)12-10-13(18(22)23)16(21)15(20)11-12;/h10-11,20-21H,1-9H2;1H