(4-methyl-2-oxidanylidene-chromen-7-yl) 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H13F3N2O4 MolecularWeight: 414.33413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

InChI

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