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

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(4-fluorophenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(4-fluorophenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-fluorophenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-fluorophenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(4-fluorophenyl)pyrazol-1-yl]propionate Formula: C18H15FN3O4- MolecularWeight: 356.327803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O4/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)/p-1