[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C22H16INO4 MolecularWeight: 485.27121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C22H16INO4/c23-14-9-11-15(12-10-14)24-20(25)13-27-22(26)21-16-5-1-3-7-18(16)28-19-8-4-2-6-17(19)21/h1-12,21H,13H2,(H,24,25)