[4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] ethanoate

Systemtic Name: [4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] ethanoate Openeye Name: [4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] acetate CAS Name: acetic acid [4-oxo-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] acetate Traditional Name: acetic acid [4-keto-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H13F3N2O4 MolecularWeight: 414.33413

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H13F3N2O4/c1-12(27)29-15-7-8-16-17(9-15)30-20(21(22,23)24)18(19(16)28)13-10-25-26(11-13)14-5-3-2-4-6-14/h2-11H,1H3