[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C12H13N3O4/c1-6(14)9(4-13)10(16)5-18-12(17)11-7(2)15-19-8(11)3/h9,14H,5H2,1-3H3/t9-/m1/s1