(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O4/c1-4-14-10-17-12(2)9-20(27)29-19(17)11-18(14)30-22(28)21-24-13(3)26(25-21)16-7-5-15(23)6-8-16/h5-11H,4H2,1-3H3