dimethyl 1-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[2-(6-bromo-2-oxo-chromen-3-yl)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-oxoethyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(6-bromo-2-oxochromen-3-yl)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(6-bromo-2-keto-chromen-3-yl)-2-keto-ethyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C17H12BrN3O7 MolecularWeight: 450.19708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)C(=O)OC

InChI

InChI=1S/C17H12BrN3O7/c1-26-16(24)13-14(17(25)27-2)21(20-19-13)7-11(22)10-6-8-5-9(18)3-4-12(8)28-15(10)23/h3-6H,7H2,1-2H3