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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (7-bromo-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-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-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-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H13BrFN3O4 MolecularWeight: 458.237323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H13BrFN3O4/c1-11-23-19(24-25(11)15-5-3-14(22)4-6-15)20(27)28-10-12-8-18(26)29-17-9-13(21)2-7-16(12)17/h2-9H,10H2,1H3