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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(C(N(CCO2)CC#N)C(OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2(C(N(CCO2)CC#N)C(OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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