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

Systemtic Name: 1-[2-nitro-3,4-bis(oxidanyl)phenyl]-3-pyrrolidin-1-yl-propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-pyrrolidin-1-yl-propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-(1-pyrrolidinyl)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-2-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=C(C(=C(C=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5.ClH/c16-10(5-8-14-6-1-2-7-14)9-3-4-11(17)13(18)12(9)15(19)20;/h3-4,17-18H,1-2,5-8H2;1H