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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(N(CCO2)CC#N)C(OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2(C(N(CCO2)CC#N)C(OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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