6-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]sesamol Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5/c19-13-1-2-14(15(8-13)22(24)25)21-5-3-20(4-6-21)10-12-7-17-18(9-16(12)23)27-11-26-17/h1-2,7-9,23H,3-6,10-11H2