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

Systemtic Name: 3-chloranyl-N'-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN6O3/c1-2-14-8-3-4-9-24(14)17-15(25(27)28)16(20-11-21-17)22-23-18(26)12-6-5-7-13(19)10-12/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,23,26)(H,20,21,22)