3-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-4-oxidanylidene-pyran-2-olate

Systemtic Name: 3-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-1-oxoprop-2-enyl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]acryloyl]-4-keto-6-methyl-pyran-2-olate Formula: C20H16FN2O4- MolecularWeight: 367.350443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C(=O)C=CC2=C(N(N=C2C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C(=O)/C=C/C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H17FN2O4/c1-11-10-18(25)19(20(26)27-11)17(24)9-8-16-12(2)22-23(13(16)3)15-6-4-14(21)5-7-15/h4-10,26H,1-3H3/p-1/b9-8+