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

Systemtic Name: 2-[[3-(3-carboxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-6-chloranyl-quinoline-3-carboxylic acid Openeye Name: 2-[[1-[(3-carboxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 2-[[3-(3-carboxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-6-chloro-3-quinolinecarboxylic acid IUPAC Name: 2-[[3-(3-carboxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-6-chloroquinoline-3-carboxylic acid Traditional Name: 2-[[1-(3-carboxybenzyl)-2-hydroxy-2-keto-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O6/c21-13-4-5-15-12(8-13)9-14(19(26)27)17(22-15)23-16(20(28)29)7-10-2-1-3-11(6-10)18(24)25/h1-6,8-9,16H,7H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)