(2R)-2-(2-chloranyl-4-nitro-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(2-chloranyl-4-nitro-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzyl-1-piperidyl)-2-(2-chloro-4-nitro-phenoxy)propan-1-one CAS Name: (2R)-2-(2-chloro-4-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperidin-1-yl)-2-(2-chloro-4-nitrophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperidino)-2-(2-chloro-4-nitro-phenoxy)propan-1-one Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN2O4/c1-15(28-20-8-7-18(24(26)27)14-19(20)22)21(25)23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3/t15-/m1/s1