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

Systemtic Name: 4-chloranyl-N'-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(ethylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(ethylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C13H12ClN7O5 MolecularWeight: 381.73128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN7O5/c1-2-15-11-10(21(25)26)12(17-6-16-11)18-19-13(22)7-3-4-8(14)9(5-7)20(23)24/h3-6H,2H2,1H3,(H,19,22)(H2,15,16,17,18)