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

Systemtic Name: 3-(azepan-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride Formula: C15H21ClN2O5 MolecularWeight: 344.79064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H20N2O5.ClH/c18-13(5-8-16-6-3-1-2-4-7-16)11-9-12(17(21)22)15(20)14(19)10-11;/h9-10,19-20H,1-8H2;1H