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

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]benzohydrazide Formula: C17H13ClN8O5 MolecularWeight: 444.78872

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H13ClN8O5/c18-12-7-6-10(8-13(12)25(28)29)17(27)24-23-16-14(26(30)31)15(19-9-20-16)22-21-11-4-2-1-3-5-11/h1-9,21H,(H,24,27)(H2,19,20,22,23)