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

Systemtic Name: 9-(carboxymethylcarbamoylamino)-8-chloranyl-5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Openeye Name: 9-(carboxymethylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid CAS Name: 9-[[(carboxymethylamino)-oxomethyl]amino]-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid IUPAC Name: 9-(carboxymethylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Traditional Name: 9-(carboxymethylcarbamoylamino)-8-chloro-5-keto-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Formula: C15H10ClN5O8 MolecularWeight: 423.7216

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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)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClN5O8/c16-5-2-6-4(1-7(5)18-14(28)17-3-8(22)23)11-9(12(24)25)10(13(26)27)20-21(11)15(29)19-6/h1-2,20H,3H2,(H,22,23)(H,24,25)(H,26,27)(H2,17,18,28)