3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-1-(3-nitrophenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-1-(3-nitrophenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(3-nitrophenyl)-4-(4-piperonylpiperazino)-3-pyrroline-2,5-quinone Formula: C22H19ClN4O6 MolecularWeight: 470.86246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN4O6/c23-19-20(22(29)26(21(19)28)15-2-1-3-16(11-15)27(30)31)25-8-6-24(7-9-25)12-14-4-5-17-18(10-14)33-13-32-17/h1-5,10-11H,6-9,12-13H2