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

Systemtic Name: O1-methyl O3-[(1S)-2-oxidanylidenecyclohexyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(1S)-2-oxocyclohexyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(1S)-2-oxocyclohexyl] ester IUPAC Name: 1-O-methyl 3-O-[(1S)-2-oxocyclohexyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(1S)-2-ketocyclohexyl] ester O1-methyl ester Formula: C15H15NO7 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO7/c1-22-14(18)9-6-10(8-11(7-9)16(20)21)15(19)23-13-5-3-2-4-12(13)17/h6-8,13H,2-5H2,1H3/t13-/m0/s1