N'-(2,2-diethoxyethyl)-3,5-dinitro-benzenecarboximidamide

Systemtic Name: N'-(2,2-diethoxyethyl)-3,5-dinitro-benzenecarboximidamide Openeye Name: N'-(2,2-diethoxyethyl)-3,5-dinitro-benzamidine CAS Name: N'-(2,2-diethoxyethyl)-3,5-dinitrobenzenecarboximidamide IUPAC Name: N'-(2,2-diethoxyethyl)-3,5-dinitrobenzenecarboximidamide Traditional Name: N'-(2,2-diethoxyethyl)-3,5-dinitro-benzamidine Formula: C13H18N4O6 MolecularWeight: 326.30522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN=C(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])N)OCC

Isomeric SMILES

CCOC(CN=C(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])N)OCC

InChI

InChI=1S/C13H18N4O6/c1-3-22-12(23-4-2)8-15-13(14)9-5-10(16(18)19)7-11(6-9)17(20)21/h5-7,12H,3-4,8H2,1-2H3,(H2,14,15)