6,8-bis(bromanyl)-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(bromanyl)-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]quinoline-3-carboxylic acid Openeye Name: 2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-6,8-dibromo-quinoline-3-carboxylic acid CAS Name: 6,8-dibromo-2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-quinolinecarboxylic acid IUPAC Name: 6,8-dibromo-2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]quinoline-3-carboxylic acid Traditional Name: 2-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-6,8-dibromo-quinoline-3-carboxylic acid Formula: C19H14Br2N2O4 MolecularWeight: 494.13346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C3C=C(C=C(C3=N2)Br)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C3C=C(C=C(C3=N2)Br)Br)C(=O)O

InChI

InChI=1S/C19H14Br2N2O4/c20-12-7-11-8-13(18(24)25)17(23-16(11)14(21)9-12)22-15(19(26)27)6-10-4-2-1-3-5-10/h1-5,7-9,15H,6H2,(H,22,23)(H,24,25)(H,26,27)