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

Systemtic Name: N'-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C18H21N7O5 MolecularWeight: 415.40324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O5/c1-2-13-7-3-4-9-23(13)17-15(25(29)30)16(19-11-20-17)21-22-18(26)12-6-5-8-14(10-12)24(27)28/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,22,26)(H,19,20,21)