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

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzohydrazide Formula: C17H13ClN8O5 MolecularWeight: 444.78872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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