ethyl 4-cyano-4-morpholin-4-yl-4-(4-morpholin-4-yl-3-nitro-phenyl)butanoate

Systemtic Name: ethyl 4-cyano-4-morpholin-4-yl-4-(4-morpholin-4-yl-3-nitro-phenyl)butanoate Openeye Name: ethyl 4-cyano-4-morpholino-4-(4-morpholino-3-nitro-phenyl)butanoate CAS Name: 4-cyano-4-(4-morpholinyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-morpholin-4-yl-4-(4-morpholin-4-yl-3-nitrophenyl)butanoate Traditional Name: 4-cyano-4-morpholino-4-(4-morpholino-3-nitro-phenyl)butyric acid ethyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C#N)(C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCOC(=O)CCC(C#N)(C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H28N4O6/c1-2-31-20(26)5-6-21(16-22,24-9-13-30-14-10-24)17-3-4-18(19(15-17)25(27)28)23-7-11-29-12-8-23/h3-4,15H,2,5-14H2,1H3