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

Systemtic Name: 4-chloranyl-N'-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C17H18ClN7O5 MolecularWeight: 435.82172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN7O5/c18-12-7-6-10(8-13(12)24(27)28)17(26)23-22-16-14(25(29)30)15(19-9-20-16)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,23,26)(H2,19,20,21,22)