3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]propionic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)CCC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)CCC(=O)O)C#N

InChI

InChI=1S/C20H19N3O6/c1-2-27-20(26)14(11-21)9-15-12-23(6-5-18(24)25)22-19(15)13-3-4-16-17(10-13)29-8-7-28-16/h3-4,9-10,12H,2,5-8H2,1H3,(H,24,25)