6-chloranyl-2-[(1-oxidanyl-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl)amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[(1-oxidanyl-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl)amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[2-hydroxy-2-oxo-1-(2-pyridylmethyl)ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[1-hydroxy-1-oxo-3-(2-pyridinyl)propan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[(1-hydroxy-1-oxo-3-pyridin-2-ylpropan-2-yl)amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[2-hydroxy-2-keto-1-(2-pyridylmethyl)ethyl]amino]quinoline-3-carboxylic acid Formula: C18H14ClN3O4 MolecularWeight: 371.77446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C18H14ClN3O4/c19-11-4-5-14-10(7-11)8-13(17(23)24)16(21-14)22-15(18(25)26)9-12-3-1-2-6-20-12/h1-8,15H,9H2,(H,21,22)(H,23,24)(H,25,26)