(4-oxidanylidenecyclohexyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (4-oxidanylidenecyclohexyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (4-oxocyclohexyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (4-oxocyclohexyl) ester IUPAC Name: (4-oxocyclohexyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (4-ketocyclohexyl) ester Formula: C13H12ClNO5 MolecularWeight: 297.69108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(=O)CCC1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClNO5/c14-12-7-8(15(18)19)1-6-11(12)13(17)20-10-4-2-9(16)3-5-10/h1,6-7,10H,2-5H2