O1-methyl O3-phenacyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-phenacyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-phenacyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-phenacyl ester IUPAC Name: 1-O-methyl 3-O-phenacyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-phenacyl ester Formula: C17H13NO7 MolecularWeight: 343.28762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H13NO7/c1-24-16(20)12-7-13(9-14(8-12)18(22)23)17(21)25-10-15(19)11-5-3-2-4-6-11/h2-9H,10H2,1H3