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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C17H12IN3O4 MolecularWeight: 449.19935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C17H12IN3O4/c18-10-4-3-5-11(8-10)19-14(22)9-25-17(24)15-12-6-1-2-7-13(12)16(23)21-20-15/h1-8H,9H2,(H,19,22)(H,21,23)