1-bromanyl-4-oxidanylidene-3-propan-2-yl-phthalazine-6-carboxylic acid

Systemtic Name: 1-bromanyl-4-oxidanylidene-3-propan-2-yl-phthalazine-6-carboxylic acid Openeye Name: 1-bromo-3-isopropyl-4-oxo-phthalazine-6-carboxylic acid CAS Name: 1-bromo-4-oxo-3-propan-2-yl-6-phthalazinecarboxylic acid IUPAC Name: 1-bromo-4-oxo-3-propan-2-ylphthalazine-6-carboxylic acid Traditional Name: 1-bromo-3-isopropyl-4-keto-phthalazine-6-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=CC(=C2)C(=O)O)C(=N1)Br

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=CC(=C2)C(=O)O)C(=N1)Br

InChI

InChI=1S/C12H11BrN2O3/c1-6(2)15-11(16)9-5-7(12(17)18)3-4-8(9)10(13)14-15/h3-6H,1-2H3,(H,17,18)