6-chloranyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[(1S)-2-hydroxy-2-oxo-1-(4-pyridylmethyl)ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[(2S)-1-hydroxy-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[(2S)-1-hydroxy-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[(1S)-2-hydroxy-2-keto-1-(4-pyridylmethyl)ethyl]amino]quinoline-3-carboxylic acid Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C(C=C2C=C1Cl)C(=O)O)NC(CC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC2=NC(=C(C=C2C=C1Cl)C(=O)O)N[C@@H](CC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C18H14ClN3O4/c19-12-1-2-14-11(8-12)9-13(17(23)24)16(21-14)22-15(18(25)26)7-10-3-5-20-6-4-10/h1-6,8-9,15H,7H2,(H,21,22)(H,23,24)(H,25,26)/t15-/m0/s1