N'-[6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C17H19N7O5 MolecularWeight: 401.37666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O5/c1-11-5-2-3-8-22(11)16-14(24(28)29)15(18-10-19-16)20-21-17(25)12-6-4-7-13(9-12)23(26)27/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,25)(H,18,19,20)