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

Systemtic Name: 8-chloranyl-5-oxidanylidene-9-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoylamino]-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Openeye Name: 9-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoylamino]-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid CAS Name: 8-chloro-9-[[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]amino]-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid IUPAC Name: 8-chloro-9-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)carbamoylamino]-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Traditional Name: 9-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoylamino]-8-chloro-5-keto-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Formula: C22H16ClN5O8 MolecularWeight: 513.84414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5O8/c23-11-8-12-10(17-15(19(31)32)16(20(33)34)27-28(17)22(36)26-12)7-13(11)24-21(35)25-14(18(29)30)6-9-4-2-1-3-5-9/h1-5,7-8,14,27H,6H2,(H,29,30)(H,31,32)(H,33,34)(H2,24,25,35)