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

Systemtic Name: 2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]amino]quinoline-4-carboxylic acid Openeye Name: 2-[[2-(cyclopropylamino)-2-oxo-ethyl]amino]quinoline-4-carboxylic acid CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]quinoline-4-carboxylic acid Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]amino]cinchoninic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C1CC1NC(=O)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C15H15N3O3/c19-14(17-9-5-6-9)8-16-13-7-11(15(20)21)10-3-1-2-4-12(10)18-13/h1-4,7,9H,5-6,8H2,(H,16,18)(H,17,19)(H,20,21)