ethyl 1-[3-cyano-4-(3-methoxy-2,2-dimethyl-3-oxidanylidene-propoxy)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-cyano-4-(3-methoxy-2,2-dimethyl-3-oxidanylidene-propoxy)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-cyano-4-(3-methoxy-2,2-dimethyl-3-oxo-propoxy)phenyl]pyrazole-4-carboxylate CAS Name: 1-[3-cyano-4-(3-methoxy-2,2-dimethyl-3-oxopropoxy)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-4-(3-methoxy-2,2-dimethyl-3-oxopropoxy)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[3-cyano-4-(3-keto-3-methoxy-2,2-dimethyl-propoxy)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=CC(=C(C=C2)OCC(C)(C)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=CC(=C(C=C2)OCC(C)(C)C(=O)OC)C#N

InChI

InChI=1S/C19H21N3O5/c1-5-26-17(23)14-10-21-22(11-14)15-6-7-16(13(8-15)9-20)27-12-19(2,3)18(24)25-4/h6-8,10-11H,5,12H2,1-4H3