[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-1,2,5-oxadiazole-3-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-1,2,5-oxadiazole-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate CAS Name: 4-amino-1,2,5-oxadiazole-3-carboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate Traditional Name: 4-aminofurazan-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=NON=C2N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=NON=C2N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O6/c1-6-2-3-7(4-8(6)16(19)20)9(17)5-21-12(18)10-11(13)15-22-14-10/h2-4H,5H2,1H3,(H2,13,15)