2-chloranyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-4-nitro-benzamide Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCOCC3)OC

InChI

InChI=1S/C21H24ClN3O6/c1-29-19-6-3-14(11-20(19)30-2)18(24-7-9-31-10-8-24)13-23-21(26)16-5-4-15(25(27)28)12-17(16)22/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,23,26)