(phenylmethyl) 4-nitro-2-(2-oxidanylidenemorpholin-3-yl)benzoate

Systemtic Name: (phenylmethyl) 4-nitro-2-(2-oxidanylidenemorpholin-3-yl)benzoate Openeye Name: benzyl 4-nitro-2-(2-oxomorpholin-3-yl)benzoate CAS Name: 4-nitro-2-(2-oxo-3-morpholinyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitro-2-(2-oxomorpholin-3-yl)benzoate Traditional Name: 2-(2-ketomorpholin-3-yl)-4-nitro-benzoic acid benzyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(N1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1COC(=O)C(N1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O6/c21-17(26-11-12-4-2-1-3-5-12)14-7-6-13(20(23)24)10-15(14)16-18(22)25-9-8-19-16/h1-7,10,16,19H,8-9,11H2