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

Systemtic Name: 6-chloranyl-2-[[3-(3-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[2-hydroxy-1-[(3-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[1-hydroxy-3-(3-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[1-hydroxy-3-(3-hydroxyphenyl)-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[2-hydroxy-1-(3-hydroxybenzyl)-2-keto-ethyl]amino]quinoline-3-carboxylic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O5/c20-12-4-5-15-11(8-12)9-14(18(24)25)17(21-15)22-16(19(26)27)7-10-2-1-3-13(23)6-10/h1-6,8-9,16,23H,7H2,(H,21,22)(H,24,25)(H,26,27)