[(3S)-1-(5-chloranyl-2-nitro-phenyl)carbonylpiperidin-3-yl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [(3S)-1-(5-chloranyl-2-nitro-phenyl)carbonylpiperidin-3-yl] 5-chloranyl-2-nitro-benzoate Openeye Name: [(3S)-1-(5-chloro-2-nitro-benzoyl)-3-piperidyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [(3S)-1-[(5-chloro-2-nitrophenyl)-oxomethyl]-3-piperidinyl] ester IUPAC Name: [(3S)-1-(5-chloro-2-nitrobenzoyl)piperidin-3-yl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [(3S)-1-(5-chloro-2-nitro-benzoyl)-3-piperidyl] ester Formula: C19H15Cl2N3O7 MolecularWeight: 468.2443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])OC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])OC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15Cl2N3O7/c20-11-3-5-16(23(27)28)14(8-11)18(25)22-7-1-2-13(10-22)31-19(26)15-9-12(21)4-6-17(15)24(29)30/h3-6,8-9,13H,1-2,7,10H2/t13-/m0/s1