6-[(3-bromophenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-bromophenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-bromophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-bromophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-bromophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-bromobenzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C19H16BrNO4 MolecularWeight: 402.23864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C19H16BrNO4/c20-14-3-1-2-12(9-14)8-13-4-5-17-15(10-13)18(23)16(19(24)25)11-21(17)6-7-22/h1-5,9-11,22H,6-8H2,(H,24,25)