9-(2-carboxyethylcarbamoylamino)-8-chloranyl-5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid

Systemtic Name: 9-(2-carboxyethylcarbamoylamino)-8-chloranyl-5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Openeye Name: 9-(2-carboxyethylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid CAS Name: 9-[[(2-carboxyethylamino)-oxomethyl]amino]-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid IUPAC Name: 9-(2-carboxyethylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Traditional Name: 9-(2-carboxyethylcarbamoylamino)-8-chloro-5-keto-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Formula: C16H12ClN5O8 MolecularWeight: 437.74818

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=NC(=O)N3C(=C21)C(=C(N3)C(=O)O)C(=O)O)Cl)NC(=O)NCCC(=O)O

Isomeric SMILES

C1=C(C(=CC2=NC(=O)N3C(=C21)C(=C(N3)C(=O)O)C(=O)O)Cl)NC(=O)NCCC(=O)O

InChI

InChI=1S/C16H12ClN5O8/c17-6-4-7-5(3-8(6)19-15(29)18-2-1-9(23)24)12-10(13(25)26)11(14(27)28)21-22(12)16(30)20-7/h3-4,21H,1-2H2,(H,23,24)(H,25,26)(H,27,28)(H2,18,19,29)