methyl 3-morpholin-4-ylcarbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-morpholin-4-ylcarbonyl-5-nitro-benzoate Openeye Name: methyl 3-(morpholine-4-carbonyl)-5-nitro-benzoate CAS Name: 3-[4-morpholinyl(oxo)methyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(morpholine-4-carbonyl)-5-nitrobenzoate Traditional Name: 3-(morpholine-4-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-20-13(17)10-6-9(7-11(8-10)15(18)19)12(16)14-2-4-21-5-3-14/h6-8H,2-5H2,1H3