[(1S)-2-oxidanylidenecyclohexyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C13H12ClNO5 MolecularWeight: 297.69108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClNO5/c14-8-5-6-10(15(18)19)9(7-8)13(17)20-12-4-2-1-3-11(12)16/h5-7,12H,1-4H2/t12-/m0/s1