6-chloranyl-2-[[3-(3,5-dimethylpyrazol-1-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[3-(3,5-dimethylpyrazol-1-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-hydroxy-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[3-(3,5-dimethyl-1-pyrazolyl)-1-hydroxy-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)-1-hydroxy-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-hydroxy-2-keto-ethyl]amino]quinoline-3-carboxylic acid Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)C

InChI

InChI=1S/C18H17ClN4O4/c1-9-5-10(2)23(22-9)8-15(18(26)27)21-16-13(17(24)25)7-11-6-12(19)3-4-14(11)20-16/h3-7,15H,8H2,1-2H3,(H,20,21)(H,24,25)(H,26,27)