2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]quinoline-4-carboxylic acid Openeye Name: 2-[[2-(methylamino)-2-oxo-ethyl]amino]quinoline-4-carboxylic acid CAS Name: 2-[[2-(methylamino)-2-oxoethyl]amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[2-(methylamino)-2-oxoethyl]amino]quinoline-4-carboxylic acid Traditional Name: 2-[[2-keto-2-(methylamino)ethyl]amino]cinchoninic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CNC(=O)CNC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C13H13N3O3/c1-14-12(17)7-15-11-6-9(13(18)19)8-4-2-3-5-10(8)16-11/h2-6H,7H2,1H3,(H,14,17)(H,15,16)(H,18,19)