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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)(C(=O)N1C=CC=N1)OC2=CC=C(C=C2)OC3=NC(=CO3)C(=O)OCC

Isomeric SMILES

CCC(=O)C(C#N)(C(=O)N1C=CC=N1)OC2=CC=C(C=C2)OC3=NC(=CO3)C(=O)OCC

InChI

InChI=1S/C21H18N4O7/c1-3-17(26)21(13-22,19(28)25-11-5-10-23-25)32-15-8-6-14(7-9-15)31-20-24-16(12-30-20)18(27)29-4-2/h5-12H,3-4H2,1-2H3