N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine Traditional Name: (4,6-dipyrrolidino-s-triazin-2-yl)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C19H22N8O4 MolecularWeight: 426.42918

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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)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)N5CCCC5

InChI

InChI=1S/C19H22N8O4/c28-27(29)14-10-16-15(30-12-31-16)9-13(14)11-20-24-17-21-18(25-5-1-2-6-25)23-19(22-17)26-7-3-4-8-26/h9-11H,1-8,12H2,(H,21,22,23,24)/b20-11+