3-(2-bromoethyl)-6,7-dimethoxy-2H-phthalazine-1,4-dione

Systemtic Name: 3-(2-bromoethyl)-6,7-dimethoxy-2H-phthalazine-1,4-dione Openeye Name: 3-(2-bromoethyl)-6,7-dimethoxy-2H-phthalazine-1,4-dione CAS Name: 3-(2-bromoethyl)-6,7-dimethoxy-2H-phthalazine-1,4-dione IUPAC Name: 3-(2-bromoethyl)-6,7-dimethoxy-2H-phthalazine-1,4-dione Traditional Name: 3-(2-bromoethyl)-6,7-dimethoxy-2H-phthalazine-1,4-quinone Formula: C12H13BrN2O4 MolecularWeight: 329.14662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)NN(C2=O)CCBr)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)NN(C2=O)CCBr)OC

InChI

InChI=1S/C12H13BrN2O4/c1-18-9-5-7-8(6-10(9)19-2)12(17)15(4-3-13)14-11(7)16/h5-6H,3-4H2,1-2H3,(H,14,16)