ethyl 2-[4-[4-cyano-3,5-bis(oxidanylidene)-5-pyrazol-1-yl-pentan-2-yl]oxyphenoxy]-1,3-oxazole-4-carboxylate

Systemtic Name: ethyl 2-[4-[4-cyano-3,5-bis(oxidanylidene)-5-pyrazol-1-yl-pentan-2-yl]oxyphenoxy]-1,3-oxazole-4-carboxylate Openeye Name: ethyl 2-[4-(3-cyano-1-methyl-2,4-dioxo-4-pyrazol-1-yl-butoxy)phenoxy]oxazole-4-carboxylate CAS Name: 2-[4-[4-cyano-3,5-dioxo-5-(1-pyrazolyl)pentan-2-yl]oxyphenoxy]-4-oxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-cyano-3,5-dioxo-5-pyrazol-1-ylpentan-2-yl)oxyphenoxy]-1,3-oxazole-4-carboxylate Traditional Name: 2-[4-(3-cyano-2,4-diketo-1-methyl-4-pyrazol-1-yl-butoxy)phenoxy]oxazole-4-carboxylic acid ethyl ester Formula: C21H18N4O7 MolecularWeight: 438.39022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=COC(=N1)OC2=CC=C(C=C2)OC(C)C(=O)C(C#N)C(=O)N3C=CC=N3

Isomeric SMILES

CCOC(=O)C1=COC(=N1)OC2=CC=C(C=C2)OC(C)C(=O)C(C#N)C(=O)N3C=CC=N3

InChI

InChI=1S/C21H18N4O7/c1-3-29-20(28)17-12-30-21(24-17)32-15-7-5-14(6-8-15)31-13(2)18(26)16(11-22)19(27)25-10-4-9-23-25/h4-10,12-13,16H,3H2,1-2H3