N-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylhydrazinyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylhydrazinyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylhydrazino)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylhydrazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(N',N'-diphenylhydrazino)-5-nitro-pyrimidin-4-yl]amine Formula: C23H18N6O4 MolecularWeight: 442.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NN(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NN(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O4/c30-29(31)21-22(26-16-11-12-19-20(13-16)33-15-32-19)24-14-25-23(21)27-28(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H2,24,25,26,27)