N2-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: (4-anilino-6-pyrrolidino-s-triazin-2-yl)-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C21H20N8O4 MolecularWeight: 448.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N/N=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC5=CC=CC=C5

InChI

InChI=1S/C21H20N8O4/c30-29(31)16-11-18-17(32-13-33-18)10-14(16)12-22-27-20-24-19(23-15-6-2-1-3-7-15)25-21(26-20)28-8-4-5-9-28/h1-3,6-7,10-12H,4-5,8-9,13H2,(H2,23,24,25,26,27)/b22-12-