N-[2-[[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-oxidanyl-propyl]amino]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-oxidanyl-propyl]amino]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxy-propyl]amino]ethyl]-4-nitro-benzamide CAS Name: N-[2-[[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxypropyl]amino]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxypropyl]amino]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxy-propyl]amino]ethyl]-4-nitro-benzamide Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC=C2OCC(CNCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC=C2OCC(CNCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O7/c24-16(13-30-18-3-1-2-17-19(18)29-11-10-28-17)12-21-8-9-22-20(25)14-4-6-15(7-5-14)23(26)27/h1-7,16,21,24H,8-13H2,(H,22,25)