(4-bromophenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (4-bromophenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-bromophenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-bromophenyl) ester Formula: C22H15BrN2O3 MolecularWeight: 435.2701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN2O3/c23-16-10-12-17(13-11-16)28-22(27)20-18-8-4-5-9-19(18)21(26)25(24-20)14-15-6-2-1-3-7-15/h1-13H,14H2