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

Systemtic Name: 1-[2-nitro-3,4-bis(oxidanyl)phenyl]-3-piperidin-1-yl-propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-(1-piperidyl)propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-(1-piperidinyl)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-piperidin-1-ylpropan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-piperidino-propan-1-one hydrochloride Formula: C14H19ClN2O5 MolecularWeight: 330.76406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(CC1)CCC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H18N2O5.ClH/c17-11(6-9-15-7-2-1-3-8-15)10-4-5-12(18)14(19)13(10)16(20)21;/h4-5,18-19H,1-3,6-9H2;1H