(2-chloranyl-4-cyano-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-chloro-4-cyano-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-chloro-4-cyano-phenyl) ester Formula: C17H10ClN3O3 MolecularWeight: 339.7326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN3O3/c1-21-16(22)12-5-3-2-4-11(12)15(20-21)17(23)24-14-7-6-10(9-19)8-13(14)18/h2-8H,1H3