4-[[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholino-ethyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholinyl)ethyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholino-ethyl]amino]-3-nitro-benzonitrile Formula: C22H26N4O5 MolecularWeight: 426.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N3CCOCC3)OC

InChI

InChI=1S/C22H26N4O5/c1-3-31-21-7-5-17(13-22(21)29-2)20(25-8-10-30-11-9-25)15-24-18-6-4-16(14-23)12-19(18)26(27)28/h4-7,12-13,20,24H,3,8-11,15H2,1-2H3