2-[2,6-bis(chloranyl)phenoxy]ethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: 2-[2,6-bis(chloranyl)phenoxy]ethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: 2-(2,6-dichlorophenoxy)ethyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid 2-(2,6-dichlorophenoxy)ethyl ester IUPAC Name: 2-(2,6-dichlorophenoxy)ethyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid 2-(2,6-dichlorophenoxy)ethyl ester Formula: C20H18Cl2N2O4 MolecularWeight: 421.27392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O4/c1-12(2)24-19(25)14-7-4-3-6-13(14)17(23-24)20(26)28-11-10-27-18-15(21)8-5-9-16(18)22/h3-9,12H,10-11H2,1-2H3