6-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-yl-amino]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-yl-amino]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[isopropyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-ylamino]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-ylamino]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[isopropyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]sesamol Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC2=C(C=C1O)OCO2)CC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC2=C(C=C1O)OCO2)CC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-12(2)23(9-14-7-17-18(8-16(14)25)29-11-28-17)10-19-21-22-20(30-19)13-4-3-5-15(6-13)24(26)27/h3-8,12,25H,9-11H2,1-2H3