1-tert-butyl-7-iodanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-tert-butyl-7-iodanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-tert-butyl-7-iodo-4-oxo-quinoline-3-carboxylate CAS Name: 1-tert-butyl-7-iodo-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-tert-butyl-7-iodo-4-oxoquinoline-3-carboxylate Traditional Name: 1-tert-butyl-7-iodo-4-keto-quinoline-3-carboxylate Formula: C14H13INO3- MolecularWeight: 370.16239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=C1C=C(C=C2)I)C(=O)[O-]

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=C1C=C(C=C2)I)C(=O)[O-]

InChI

InChI=1S/C14H14INO3/c1-14(2,3)16-7-10(13(18)19)12(17)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3,(H,18,19)/p-1