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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 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 (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 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 (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H16FN3O5 MolecularWeight: 409.367243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H16FN3O5/c1-11-17(26)8-7-16-13(9-18(27)30-19(11)16)10-29-21(28)20-23-12(2)25(24-20)15-5-3-14(22)4-6-15/h3-9,26H,10H2,1-2H3