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

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(4-benzyl-1-piperidyl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperidin-1-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one Traditional Name: 3-(4-benzylpiperidino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c24-19(17-13-18(23(27)28)21(26)20(25)14-17)8-11-22-9-6-16(7-10-22)12-15-4-2-1-3-5-15/h1-5,13-14,16,25-26H,6-12H2