(4-propanoylphenyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-propanoylphenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-propanoylphenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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