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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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