(phenylmethyl) 4-nitro-2-(5-oxidanylidenemorpholin-3-yl)benzoate

Systemtic Name: (phenylmethyl) 4-nitro-2-(5-oxidanylidenemorpholin-3-yl)benzoate Openeye Name: benzyl 4-nitro-2-(5-oxomorpholin-3-yl)benzoate CAS Name: 4-nitro-2-(5-oxo-3-morpholinyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitro-2-(5-oxomorpholin-3-yl)benzoate Traditional Name: 2-(5-ketomorpholin-3-yl)-4-nitro-benzoic acid benzyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)CO1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(NC(=O)CO1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O6/c21-17-11-25-10-16(19-17)15-8-13(20(23)24)6-7-14(15)18(22)26-9-12-4-2-1-3-5-12/h1-8,16H,9-11H2,(H,19,21)