(5-ethanoyl-2-ethoxy-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H24N2O7 MolecularWeight: 428.43516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H24N2O7/c1-3-30-21-7-4-16(15(2)25)12-17(21)14-31-22(26)19-13-18(24(27)28)5-6-20(19)23-8-10-29-11-9-23/h4-7,12-13H,3,8-11,14H2,1-2H3