[2,3-bis(chloranyl)phenyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2,3-dichlorophenyl) 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (2,3-dichlorophenyl) ester Formula: C19H16Cl2N2O3 MolecularWeight: 391.24794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O3/c1-11(2)10-23-18(24)13-7-4-3-6-12(13)17(22-23)19(25)26-15-9-5-8-14(20)16(15)21/h3-9,11H,10H2,1-2H3