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

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propionic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-2-25-18(24)14(11-19)10-15-12-21(9-8-16(22)23)20-17(15)13-6-4-3-5-7-13/h3-7,10,12H,2,8-9H2,1H3,(H,22,23)