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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O7/c1-2-29-20(28)17-13-31-21(24-17)32-15-6-3-5-14(11-15)30-10-7-18(26)16(12-22)19(27)25-9-4-8-23-25/h3-6,8-9,11,13,16H,2,7,10H2,1H3