3-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(3-chlorophenyl)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H13ClN2O4 MolecularWeight: 356.75982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H13ClN2O4/c1-10(16(22)11-5-4-6-12(19)9-11)21-17(23)14-8-3-2-7-13(14)15(20-21)18(24)25/h2-10H,1H3,(H,24,25)