3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(3,4-dimethoxyphenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propionate Formula: C20H20N3O6- MolecularWeight: 398.3893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CCC(=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CCC(=O)[O-])C#N

InChI

InChI=1S/C20H21N3O6/c1-4-29-20(26)14(11-21)9-15-12-23(8-7-18(24)25)22-19(15)13-5-6-16(27-2)17(10-13)28-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,24,25)/p-1