(4-propanoylphenyl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-propanoylphenyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-propanoylphenyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-propionylphenyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H20N2O6/c1-2-19(23)14-3-6-16(7-4-14)28-20(24)17-13-15(22(25)26)5-8-18(17)21-9-11-27-12-10-21/h3-8,13H,2,9-12H2,1H3