3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(p-tolyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(p-tolyl)pyrazol-1-yl]propionic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4/c1-3-26-19(25)15(11-20)10-16-12-22(9-8-17(23)24)21-18(16)14-6-4-13(2)5-7-14/h4-7,10,12H,3,8-9H2,1-2H3,(H,23,24)