1-(1,3-benzodioxol-5-ylmethyl)-4-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine Traditional Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-4-piperonyl-piperazine Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26ClN3O5/c26-20-13-18-12-19-3-1-2-6-25(19,34-24(18)21(14-20)29(30)31)28-9-7-27(8-10-28)15-17-4-5-22-23(11-17)33-16-32-22/h4-5,11-14H,1-3,6-10,15-16H2