N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]-2-nitrobenzohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide Traditional Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Formula: C18H13N7O7 MolecularWeight: 439.33852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N7O7/c26-18(11-3-1-2-4-12(11)24(27)28)23-22-17-15(25(29)30)16(19-8-20-17)21-10-5-6-13-14(7-10)32-9-31-13/h1-8H,9H2,(H,23,26)(H2,19,20,21,22)