ethyl 5-nitro-4-(4-nitrophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

Systemtic Name: ethyl 5-nitro-4-(4-nitrophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Openeye Name: ethyl 5-nitro-4-(4-nitrophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylate CAS Name: 5-nitro-4-(4-nitrophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-4-(4-nitrophenyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Traditional Name: 5-nitro-4-(4-nitrophenyl)-2-oxido-2-isoxazolin-2-ium-3-carboxylic acid ethyl ester Formula: C12H11N3O8 MolecularWeight: 325.23104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](OC(C1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](OC(C1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H11N3O8/c1-2-22-12(16)10-9(11(14(19)20)23-15(10)21)7-3-5-8(6-4-7)13(17)18/h3-6,9,11H,2H2,1H3