[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C18H14IN3O4 MolecularWeight: 463.22593

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C18H14IN3O4/c1-22-17(24)12-7-3-2-6-11(12)16(21-22)18(25)26-10-15(23)20-14-9-5-4-8-13(14)19/h2-9H,10H2,1H3,(H,20,23)