6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-nitrophenyl)piperazino]methyl]sesamol Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c22-16-10-18-17(25-12-26-18)9-13(16)11-19-5-7-20(8-6-19)14-1-3-15(4-2-14)21(23)24/h1-4,9-10,22H,5-8,11-12H2