1-[4-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-3-nitro-phenyl]ethanone Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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