7-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-1H-quinoline-2-carboxylic acid

Systemtic Name: 7-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-1H-quinoline-2-carboxylic acid Openeye Name: 7-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-1H-quinoline-2-carboxylic acid CAS Name: 7-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1H-quinoline-2-carboxylic acid IUPAC Name: 7-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1H-quinoline-2-carboxylic acid Traditional Name: 7-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-keto-1H-quinoline-2-carboxylic acid Formula: C21H19NO8 MolecularWeight: 413.37746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C=C(N3)C(=O)O)O)O

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C=C(N3)C(=O)O)O)O

InChI

InChI=1S/C21H19NO8/c1-11(23)20-17(25)3-2-4-19(20)30-10-12(24)9-29-13-5-6-14-15(7-13)22-16(21(27)28)8-18(14)26/h2-8,12,24-25H,9-10H2,1H3,(H,22,26)(H,27,28)