2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethanenitrile

Systemtic Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethanenitrile Openeye Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(3,4-dimethoxyphenyl)-2-morpholino-acetonitrile CAS Name: 2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)acetonitrile IUPAC Name: 2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile Traditional Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(3,4-dimethoxyphenyl)-2-morpholino-acetonitrile Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7/c1-29-20-8-6-17(14-21(20)30-2)23(15-24,25-9-11-33-12-10-25)16-5-7-19(26(27)28)18(13-16)22(31-3)32-4/h5-8,13-14,22H,9-12H2,1-4H3