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

Systemtic Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(3-methoxyphenyl)-2-morpholin-4-yl-ethanenitrile Openeye Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(3-methoxyphenyl)-2-morpholino-acetonitrile CAS Name: 2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-(3-methoxyphenyl)-2-(4-morpholinyl)acetonitrile IUPAC Name: 2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile Traditional Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(3-methoxyphenyl)-2-morpholino-acetonitrile Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6/c1-28-18-6-4-5-16(13-18)22(15-23,24-9-11-31-12-10-24)17-7-8-20(25(26)27)19(14-17)21(29-2)30-3/h4-8,13-14,21H,9-12H2,1-3H3