4-chloranyl-3-nitro-N'-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C18H13ClN8O6 MolecularWeight: 472.79882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN8O6/c19-12-7-6-11(8-13(12)26(30)31)18(29)25-23-16-14(27(32)33)15(20-9-21-16)22-24-17(28)10-4-2-1-3-5-10/h1-9H,(H,24,28)(H,25,29)(H2,20,21,22,23)