1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)diazane

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)diazane Openeye Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine CAS Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)hydrazine IUPAC Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine Traditional Name: 1-(4-nitrophenyl)-2-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]hydrazine Formula: C22H22N8O6 MolecularWeight: 494.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N8O6/c31-29(32)17-4-2-16(3-5-17)25-26-21-20(30(33)34)22(24-13-23-21)28-9-7-27(8-10-28)12-15-1-6-18-19(11-15)36-14-35-18/h1-6,11,13,25H,7-10,12,14H2,(H,23,24,26)