[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H23N3O7 MolecularWeight: 441.43392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H23N3O7/c1-2-21(27)23-16-5-3-15(4-6-16)20(26)14-32-22(28)18-13-17(25(29)30)7-8-19(18)24-9-11-31-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)