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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (6-chloro-7-ethyl-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 (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-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 (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H17ClFN3O4 MolecularWeight: 441.839483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFN3O4/c1-3-13-8-19-17(10-18(13)23)14(9-20(28)31-19)11-30-22(29)21-25-12(2)27(26-21)16-6-4-15(24)5-7-16/h4-10H,3,11H2,1-2H3