O1-ethyl O3-[(1S)-2-oxidanylidenecyclohexyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[(1S)-2-oxidanylidenecyclohexyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(1S)-2-oxocyclohexyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(1S)-2-oxocyclohexyl] ester IUPAC Name: 1-O-ethyl 3-O-[(1S)-2-oxocyclohexyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(1S)-2-ketocyclohexyl] ester Formula: C16H17NO7 MolecularWeight: 335.30868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO7/c1-2-23-15(19)10-7-11(9-12(8-10)17(21)22)16(20)24-14-6-4-3-5-13(14)18/h7-9,14H,2-6H2,1H3/t14-/m0/s1