(3-iodanylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-iodanylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-iodophenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3-iodophenyl) ester IUPAC Name: (3-iodophenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (3-iodophenyl) ester Formula: C16H11IN2O3 MolecularWeight: 406.17461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11IN2O3/c1-19-15(20)13-8-3-2-7-12(13)14(18-19)16(21)22-11-6-4-5-10(17)9-11/h2-9H,1H3