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

Systemtic Name: 2-(4-bromophenyl)-2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-morpholin-4-yl-ethanenitrile Openeye Name: 2-(4-bromophenyl)-2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-morpholino-acetonitrile CAS Name: 2-(4-bromophenyl)-2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-(4-morpholinyl)acetonitrile IUPAC Name: 2-(4-bromophenyl)-2-[3-(dimethoxymethyl)-4-nitrophenyl]-2-morpholin-4-ylacetonitrile Traditional Name: 2-(4-bromophenyl)-2-[3-(dimethoxymethyl)-4-nitro-phenyl]-2-morpholino-acetonitrile Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O5/c1-28-20(29-2)18-13-16(5-8-19(18)25(26)27)21(14-23,24-9-11-30-12-10-24)15-3-6-17(22)7-4-15/h3-8,13,20H,9-12H2,1-2H3