magnesium 3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-propanoate

Systemtic Name: magnesium 3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-propanoate Openeye Name: magnesium 3-[(4-nitrophenyl)methoxy]-3-oxo-propanoate CAS Name: magnesium 3-[(4-nitrophenyl)methoxy]-3-oxopropanoate IUPAC Name: magnesium 3-[(4-nitrophenyl)methoxy]-3-oxopropanoate Traditional Name: magnesium 3-keto-3-(4-nitrobenzyl)oxy-propionate Formula: C20H16MgN2O12 MolecularWeight: 500.65224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]

InChI

InChI=1S/2C10H9NO6.Mg/c2*12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16;/h2*1-4H,5-6H2,(H,12,13);/q;;+2/p-2