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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-4-methyl-3-nitro-benzamide Formula: C22H27N3O6 MolecularWeight: 429.46628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-15-4-5-17(12-18(15)25(27)28)22(26)23-14-19(24-8-10-31-11-9-24)16-6-7-20(29-2)21(13-16)30-3/h4-7,12-13,19H,8-11,14H2,1-3H3,(H,23,26)