N2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N4-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N4-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N4-(4-nitrophenyl)-6-(1-piperidyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N4-(4-nitrophenyl)-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: [4-(4-nitroanilino)-6-piperidino-s-triazin-2-yl]-[(E)-piperonylideneamino]amine Formula: C22H22N8O4 MolecularWeight: 462.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N8O4/c31-30(32)17-7-5-16(6-8-17)24-20-25-21(27-22(26-20)29-10-2-1-3-11-29)28-23-13-15-4-9-18-19(12-15)34-14-33-18/h4-9,12-13H,1-3,10-11,14H2,(H2,24,25,26,27,28)/b23-13+