6,8-bis(bromanyl)-3-(1,2,4-triazol-1-ylcarbonyl)chromen-2-one

Systemtic Name: 6,8-bis(bromanyl)-3-(1,2,4-triazol-1-ylcarbonyl)chromen-2-one Openeye Name: 6,8-dibromo-3-(1,2,4-triazole-1-carbonyl)chromen-2-one CAS Name: 6,8-dibromo-3-[oxo(1,2,4-triazol-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 6,8-dibromo-3-(1,2,4-triazole-1-carbonyl)chromen-2-one Traditional Name: 6,8-dibromo-3-(1,2,4-triazole-1-carbonyl)coumarin Formula: C12H5Br2N3O3 MolecularWeight: 398.9944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=O)OC2=C(C=C1Br)Br)C(=O)N3C=NC=N3

Isomeric SMILES

C1=C2C=C(C(=O)OC2=C(C=C1Br)Br)C(=O)N3C=NC=N3

InChI

InChI=1S/C12H5Br2N3O3/c13-7-1-6-2-8(11(18)17-5-15-4-16-17)12(19)20-10(6)9(14)3-7/h1-5H