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1,3-diethyl-4,6-dinitro-5-(pyridin-3-ylmethylamino)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one

1,3-diethyl-4,6-dinitro-5-(pyridin-3-ylmethylamino)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one

Systemtic Name:1,3-diethyl-4,6-dinitro-5-(pyridin-3-ylmethylamino)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
Openeye Name:1,3-diethyl-4,6-dinitro-5-(3-pyridylmethylamino)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CAS Name:1,3-diethyl-4,6-dinitro-5-(3-pyridinylmethylamino)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
IUPAC Name:1,3-diethyl-4,6-dinitro-5-(pyridin-3-ylmethylamino)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
Traditional Name:1,3-diethyl-4,6-dinitro-5-(3-pyridylmethylamino)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
Formula: C17H24N6O5
MolecularWeight: 392.40966
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2CC(C(C(C2N(C1=O)CC)[N+](=O)[O-])NCC3=CN=CC=C3)[N+](=O)[O-]


Isomeric SMILES

CCN1C2CC(C(C(C2N(C1=O)CC)[N+](=O)[O-])NCC3=CN=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C17H24N6O5/c1-3-20-13-8-12(22(25)26)14(19-10-11-6-5-7-18-9-11)16(23(27)28)15(13)21(4-2)17(20)24/h5-7,9,12-16,19H,3-4,8,10H2,1-2H3


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