2-(1-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)quinoline-5-carboxylic acid

Systemtic Name: 2-(1-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)quinoline-5-carboxylic acid Openeye Name: 2-[1-(aminomethyl)-3-hydroxy-3-oxo-propyl]quinoline-5-carboxylic acid CAS Name: 2-(1-amino-4-hydroxy-4-oxobutan-2-yl)-5-quinolinecarboxylic acid IUPAC Name: 2-(1-amino-4-hydroxy-4-oxobutan-2-yl)quinoline-5-carboxylic acid Traditional Name: 2-[1-(aminomethyl)-3-hydroxy-3-keto-propyl]quinoline-5-carboxylic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC(=NC2=C1)C(CC(=O)O)CN)C(=O)O

Isomeric SMILES

C1=CC(=C2C=CC(=NC2=C1)C(CC(=O)O)CN)C(=O)O

InChI

InChI=1S/C14H14N2O4/c15-7-8(6-13(17)18)11-5-4-9-10(14(19)20)2-1-3-12(9)16-11/h1-5,8H,6-7,15H2,(H,17,18)(H,19,20)