[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-1,2,5-oxadiazole-3-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-1,2,5-oxadiazole-3-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate CAS Name: 4-amino-1,2,5-oxadiazole-3-carboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate Traditional Name: 4-aminofurazan-3-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-7-4-3-5-8(2)10(7)15-9(18)6-20-13(19)11-12(14)17-21-16-11/h3-5H,6H2,1-2H3,(H2,14,17)(H,15,18)