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

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-2-chloranyl-benzohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-2-chloro-benzohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-2-chlorobenzohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide Traditional Name: 2-chloro-N'-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]benzohydrazide Formula: C19H15ClN6O5 MolecularWeight: 442.8126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN6O5/c20-13-4-2-1-3-12(13)19(27)25-24-18-16(26(28)29)17(22-9-23-18)21-8-11-5-6-14-15(7-11)31-10-30-14/h1-7,9H,8,10H2,(H,25,27)(H2,21,22,23,24)