3-(1,1-dinitroethyl)-5-methyl-4-nitro-1,2-oxazole

Systemtic Name: 3-(1,1-dinitroethyl)-5-methyl-4-nitro-1,2-oxazole Openeye Name: 3-(1,1-dinitroethyl)-5-methyl-4-nitro-isoxazole CAS Name: 3-(1,1-dinitroethyl)-5-methyl-4-nitroisoxazole IUPAC Name: 3-(1,1-dinitroethyl)-5-methyl-4-nitro-1,2-oxazole Traditional Name: 3-(1,1-dinitroethyl)-5-methyl-4-nitro-isoxazole Formula: C6H6N4O7 MolecularWeight: 246.13444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H6N4O7/c1-3-4(8(11)12)5(7-17-3)6(2,9(13)14)10(15)16/h1-2H3