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

Systemtic Name: 3-[3-(4-chlorophenyl)-4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(4-chlorophenyl)-4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(4-chlorophenyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-chlorophenyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(4-chlorophenyl)-4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)pyrazol-1-yl]propionic acid Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4/c1-2-26-18(25)13(10-20)9-14-11-22(8-7-16(23)24)21-17(14)12-3-5-15(19)6-4-12/h3-6,9,11H,2,7-8H2,1H3,(H,23,24)