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

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-pyrrolidin-1-yl-propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-pyrrolidin-1-yl-propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(1-pyrrolidinyl)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-pyrrolidino-propan-1-one hydrochloride Formula: C13H17ClN2O5 MolecularWeight: 316.73748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N2O5.ClH/c16-11(3-6-14-4-1-2-5-14)9-7-10(15(19)20)13(18)12(17)8-9;/h7-8,17-18H,1-6H2;1H