4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]-2-nitro-phenol

Systemtic Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]-2-nitro-phenol Openeye Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(3-pyridylmethyl)-2-piperidyl]-2-nitro-phenol CAS Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(3-pyridinylmethyl)-2-piperidinyl]-2-nitrophenol IUPAC Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]-2-nitrophenol Traditional Name: 4-[(2R,3S,4S)-4-(2-bromophenyl)-3-nitro-1-(3-pyridylmethyl)-2-piperidyl]-2-nitro-phenol Formula: C23H21BrN4O5 MolecularWeight: 513.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(C1C2=CC=CC=C2Br)[N+](=O)[O-])C3=CC(=C(C=C3)O)[N+](=O)[O-])CC4=CN=CC=C4

Isomeric SMILES

C1CN([C@@H]([C@H]([C@@H]1C2=CC=CC=C2Br)[N+](=O)[O-])C3=CC(=C(C=C3)O)[N+](=O)[O-])CC4=CN=CC=C4

InChI

InChI=1S/C23H21BrN4O5/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)28(32)33)16-7-8-21(29)20(12-16)27(30)31/h1-8,10,12-13,18,22-23,29H,9,11,14H2/t18-,22+,23-/m0/s1