6-chloranyl-2-[[3-(2-chloranyl-5-methoxy-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[3-(2-chloranyl-5-methoxy-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[1-[(2-chloro-5-methoxy-phenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[3-(2-chloro-5-methoxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[3-(2-chloro-5-methoxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[1-(2-chloro-5-methoxy-benzyl)-2-hydroxy-2-keto-ethyl]amino]quinoline-3-carboxylic acid Formula: C20H16Cl2N2O5 MolecularWeight: 435.25744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C20H16Cl2N2O5/c1-29-13-3-4-15(22)10(7-13)9-17(20(27)28)24-18-14(19(25)26)8-11-6-12(21)2-5-16(11)23-18/h2-8,17H,9H2,1H3,(H,23,24)(H,25,26)(H,27,28)