ethyl 4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-allyloxy-2-cyano-3-oxo-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[(E)-3-allyloxy-2-cyano-3-keto-prop-1-enyl]-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C=C(C#N)C(=O)OCC=C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN(C=C1/C=C(\C#N)/C(=O)OCC=C)C2=CC=CC=C2

InChI

InChI=1S/C19H17N3O4/c1-3-10-26-18(23)14(12-20)11-15-13-22(16-8-6-5-7-9-16)21-17(15)19(24)25-4-2/h3,5-9,11,13H,1,4,10H2,2H3/b14-11+