(4-bromanyl-2-chloranyl-phenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H14BrClN2O3 MolecularWeight: 421.67236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H14BrClN2O3/c1-10(2)22-17(23)13-6-4-3-5-12(13)16(21-22)18(24)25-15-8-7-11(19)9-14(15)20/h3-10H,1-2H3