7-chloranyl-5-iodanyl-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 7-chloranyl-5-iodanyl-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 7-chloro-5-iodo-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 7-chloro-5-iodo-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 7-chloro-5-iodo-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 4-carbomethoxy-7-chloro-5-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C12H11ClINO4 MolecularWeight: 395.57751

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(NC2=CC(=CC(=C12)I)Cl)C(=O)O

Isomeric SMILES

COC(=O)C1CC(NC2=CC(=CC(=C12)I)Cl)C(=O)O

InChI

InChI=1S/C12H11ClINO4/c1-19-12(18)6-4-9(11(16)17)15-8-3-5(13)2-7(14)10(6)8/h2-3,6,9,15H,4H2,1H3,(H,16,17)