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

Systemtic Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-(4-methylphenyl)-2-morpholin-4-yl-ethanenitrile Openeye Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-morpholino-2-(p-tolyl)acetonitrile CAS Name: 2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-(4-methylphenyl)-2-(4-morpholinyl)acetonitrile IUPAC Name: 2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile Traditional Name: 2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-morpholino-2-(p-tolyl)acetonitrile Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)(C2=CC(=C(C=C2)[N+](=O)[O-])C(OC)OC)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C#N)(C2=CC(=C(C=C2)[N+](=O)[O-])C(OC)OC)N3CCOCC3

InChI

InChI=1S/C22H25N3O5/c1-16-4-6-17(7-5-16)22(15-23,24-10-12-30-13-11-24)18-8-9-20(25(26)27)19(14-18)21(28-2)29-3/h4-9,14,21H,10-13H2,1-3H3