[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)C(C#N)C(=N)C)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C(C)C

InChI

InChI=1S/C14H17N3O4/c1-7(2)13-12(9(4)17-21-13)14(19)20-6-11(18)10(5-15)8(3)16/h7,10,16H,6H2,1-4H3/t10-/m0/s1