6-chloranyl-2-[[(2S)-3-(3-chloranyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[(2S)-3-(3-chloranyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[(1S)-1-[(3-chloro-4-hydroxy-phenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[(2S)-3-(3-chloro-4-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[(2S)-3-(3-chloro-4-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[(1S)-1-(3-chloro-4-hydroxy-benzyl)-2-hydroxy-2-keto-ethyl]amino]quinoline-3-carboxylic acid Formula: C19H14Cl2N2O5 MolecularWeight: 421.23086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)Cl)O

InChI

InChI=1S/C19H14Cl2N2O5/c20-11-2-3-14-10(7-11)8-12(18(25)26)17(22-14)23-15(19(27)28)6-9-1-4-16(24)13(21)5-9/h1-5,7-8,15,24H,6H2,(H,22,23)(H,25,26)(H,27,28)/t15-/m0/s1