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

Systemtic Name: 8-chloranyl-5-oxidanylidene-9-[(phenylmethyl)carbamoylamino]-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Openeye Name: 9-(benzylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid CAS Name: 8-chloro-5-oxo-9-[[oxo-[(phenylmethyl)amino]methyl]amino]-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid IUPAC Name: 9-(benzylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Traditional Name: 9-(benzylcarbamoylamino)-8-chloro-5-keto-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Formula: C20H14ClN5O6 MolecularWeight: 455.80806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC3=C4C(=C(NN4C(=O)N=C3C=C2Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC3=C4C(=C(NN4C(=O)N=C3C=C2Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C20H14ClN5O6/c21-11-7-12-10(6-13(11)23-19(31)22-8-9-4-2-1-3-5-9)16-14(17(27)28)15(18(29)30)25-26(16)20(32)24-12/h1-7,25H,8H2,(H,27,28)(H,29,30)(H2,22,23,31)