(2-chlorophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2-chlorobenzyl) ester Formula: C16H11ClN2O3 MolecularWeight: 314.72314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=NNC(=O)C3=CC=CC=C32)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=NNC(=O)C3=CC=CC=C32)Cl

InChI

InChI=1S/C16H11ClN2O3/c17-13-8-4-1-5-10(13)9-22-16(21)14-11-6-2-3-7-12(11)15(20)19-18-14/h1-8H,9H2,(H,19,20)