1,3-diethyl-4,6-dinitro-5-(pyridin-3-ylmethylamino)benzimidazol-2-one

Systemtic Name: 1,3-diethyl-4,6-dinitro-5-(pyridin-3-ylmethylamino)benzimidazol-2-one Openeye Name: 1,3-diethyl-4,6-dinitro-5-(3-pyridylmethylamino)benzimidazol-2-one CAS Name: 1,3-diethyl-4,6-dinitro-5-(3-pyridinylmethylamino)-2-benzimidazolone IUPAC Name: 1,3-diethyl-4,6-dinitro-5-(pyridin-3-ylmethylamino)benzimidazol-2-one Traditional Name: 1,3-diethyl-4,6-dinitro-5-(3-pyridylmethylamino)benzimidazol-2-one Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5/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/h5-9,19H,3-4,10H2,1-2H3