6-chloranyl-7-(4,4-diphosphonobutylamino)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4,4-diphosphonobutylamino)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-7-(4,4-diphosphonobutylamino)-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-7-(4,4-diphosphonobutylamino)-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-7-(4,4-diphosphonobutylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-7-(4,4-diphosphonobutylamino)-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C15H19ClN2O9P2 MolecularWeight: 468.719882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)NCCCC(P(=O)(O)O)P(=O)(O)O)Cl)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)NCCCC(P(=O)(O)O)P(=O)(O)O)Cl)C(=O)O

InChI

InChI=1S/C15H19ClN2O9P2/c1-18-7-9(15(20)21)14(19)8-5-10(16)11(6-12(8)18)17-4-2-3-13(28(22,23)24)29(25,26)27/h5-7,13,17H,2-4H2,1H3,(H,20,21)(H2,22,23,24)(H2,25,26,27)