4-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-3-nitro-benzonitrile Formula: C21H24N4O5 MolecularWeight: 412.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N3CCOCC3)OC

InChI

InChI=1S/C21H24N4O5/c1-28-20-6-4-16(12-21(20)29-2)19(24-7-9-30-10-8-24)14-23-17-5-3-15(13-22)11-18(17)25(26)27/h3-6,11-12,19,23H,7-10,14H2,1-2H3