[2-[(4-iodanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate

Systemtic Name: [2-[(4-iodanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate Openeye Name: [2-(4-iodo-2,6-dimethyl-anilino)-2-oxo-ethyl] 2-anilinobenzoate CAS Name: 2-anilinobenzoic acid [2-(4-iodo-2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2,6-dimethylanilino)-2-oxoethyl] 2-anilinobenzoate Traditional Name: 2-anilinobenzoic acid [2-(4-iodo-2,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C23H21IN2O3 MolecularWeight: 500.32891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3)C)I

InChI

InChI=1S/C23H21IN2O3/c1-15-12-17(24)13-16(2)22(15)26-21(27)14-29-23(28)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-13,25H,14H2,1-2H3,(H,26,27)