(2-oxidanylidenecyclohexyl) 4-nitrobenzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 4-nitrobenzoate Openeye Name: (2-oxocyclohexyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-ketocyclohexyl) ester Formula: C13H13NO5 MolecularWeight: 263.24602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h5-8,12H,1-4H2