2-[(3-azanyl-3-oxidanylidene-propyl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[(3-azanyl-3-oxidanylidene-propyl)amino]quinoline-4-carboxylic acid Openeye Name: 2-[(3-amino-3-oxo-propyl)amino]quinoline-4-carboxylic acid CAS Name: 2-[(3-amino-3-oxopropyl)amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[(3-amino-3-oxopropyl)amino]quinoline-4-carboxylic acid Traditional Name: 2-[(3-amino-3-keto-propyl)amino]cinchoninic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NCCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NCCC(=O)N)C(=O)O

InChI

InChI=1S/C13H13N3O3/c14-11(17)5-6-15-12-7-9(13(18)19)8-3-1-2-4-10(8)16-12/h1-4,7H,5-6H2,(H2,14,17)(H,15,16)(H,18,19)