2-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]quinoline-4-carboxylic acid Openeye Name: 2-[(2-amino-1-methyl-2-oxo-ethyl)amino]quinoline-4-carboxylic acid CAS Name: 2-[(1-amino-1-oxopropan-2-yl)amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[(1-amino-1-oxopropan-2-yl)amino]quinoline-4-carboxylic acid Traditional Name: 2-[(2-amino-2-keto-1-methyl-ethyl)amino]cinchoninic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CC(C(=O)N)NC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

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