6-chloranyl-4-[[2-(diethylamino)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[[2-(diethylamino)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-4-[[2-(diethylamino)-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-4-[[2-(diethylamino)-2-oxoethyl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-4-[[2-(diethylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-4-[[2-(diethylamino)-2-keto-ethyl]amino]quinoline-3-carboxylic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CNC1=C2C=C(C=CC2=NC=C1C(=O)O)Cl

Isomeric SMILES

CCN(CC)C(=O)CNC1=C2C=C(C=CC2=NC=C1C(=O)O)Cl

InChI

InChI=1S/C16H18ClN3O3/c1-3-20(4-2)14(21)9-19-15-11-7-10(17)5-6-13(11)18-8-12(15)16(22)23/h5-8H,3-4,9H2,1-2H3,(H,18,19)(H,22,23)