(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-nitrobenzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-nitrobenzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c16-12(14-4-6-20-7-5-14)9-21-13(17)10-2-1-3-11(8-10)15(18)19/h1-3,8H,4-7,9H2