1-(2,2-dimethylpropyl)-N-(4-iodophenyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-(2,2-dimethylpropyl)-N-(4-iodophenyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-(2,2-dimethylpropyl)-2-hydroxy-N-(4-iodophenyl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-(2,2-dimethylpropyl)-2-hydroxy-N-(4-iodophenyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-(2,2-dimethylpropyl)-2-hydroxy-N-(4-iodophenyl)-4-oxoquinoline-3-carboxamide Traditional Name: 2-hydroxy-N-(4-iodophenyl)-4-keto-1-neopentyl-quinoline-3-carboxamide Formula: C21H21IN2O3 MolecularWeight: 476.30751

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C21H21IN2O3/c1-21(2,3)12-24-16-7-5-4-6-15(16)18(25)17(20(24)27)19(26)23-14-10-8-13(22)9-11-14/h4-11,27H,12H2,1-3H3,(H,23,26)