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

Systemtic Name: 2-(azocan-2-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone hydrochloride Openeye Name: 2-(azocan-2-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride CAS Name: 2-(2-azocanyl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride IUPAC Name: 2-(azocan-2-yl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride Traditional Name: 2-(azocan-2-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride Formula: C15H21ClN2O5 MolecularWeight: 344.79064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNC(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCNC(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H20N2O5.ClH/c18-13(9-11-5-3-1-2-4-6-16-11)10-7-12(17(21)22)15(20)14(19)8-10;/h7-8,11,16,19-20H,1-6,9H2;1H