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

Systemtic Name: 2-(azocan-3-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 2-(azocan-3-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride CAS Name: 2-(3-azocanyl)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 2-(azocan-3-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one hydrochloride Traditional Name: 2-(azocan-3-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:

CC(C1CCCCCNC1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C1CCCCCNC1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H22N2O5.ClH/c1-10(11-5-3-2-4-6-17-9-11)15(20)12-7-13(18(22)23)16(21)14(19)8-12;/h7-8,10-11,17,19,21H,2-6,9H2,1H3;1H