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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-azanyl-1,2,5-oxadiazole-3-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate CAS Name: 4-amino-1,2,5-oxadiazole-3-carboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate Traditional Name: 4-aminofurazan-3-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=NON=C2N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=NON=C2N

InChI

InChI=1S/C13H13N3O4/c1-7-3-4-8(2)9(5-7)10(17)6-19-13(18)11-12(14)16-20-15-11/h3-5H,6H2,1-2H3,(H2,14,16)