ethyl 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)amino]-6,6-dimethyl-4-oxidanylidene-cyclohexene-1-carboxylate

Systemtic Name: ethyl 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)amino]-6,6-dimethyl-4-oxidanylidene-cyclohexene-1-carboxylate Openeye Name: ethyl 2-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6,6-dimethyl-4-oxo-cyclohexene-1-carboxylate CAS Name: 2-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6,6-dimethyl-4-oxo-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6,6-dimethyl-4-oxocyclohexene-1-carboxylate Traditional Name: 2-[(4-aminofurazan-3-yl)amino]-4-keto-6,6-dimethyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CC(=O)CC1(C)C)NC2=NON=C2N

Isomeric SMILES

CCOC(=O)C1=C(CC(=O)CC1(C)C)NC2=NON=C2N

InChI

InChI=1S/C13H18N4O4/c1-4-20-12(19)9-8(5-7(18)6-13(9,2)3)15-11-10(14)16-21-17-11/h4-6H2,1-3H3,(H2,14,16)(H,15,17)