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

Systemtic Name: 8-chloranyl-5-oxidanylidene-9-(phenethylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Openeye Name: 8-chloro-5-oxo-9-(phenethylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid CAS Name: 8-chloro-5-oxo-9-[[oxo-(phenethylamino)methyl]amino]-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid IUPAC Name: 8-chloro-5-oxo-9-(phenethylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Traditional Name: 8-chloro-5-keto-9-(phenethylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Formula: C21H16ClN5O6 MolecularWeight: 469.83464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O6/c22-12-9-13-11(8-14(12)24-20(32)23-7-6-10-4-2-1-3-5-10)17-15(18(28)29)16(19(30)31)26-27(17)21(33)25-13/h1-5,8-9,26H,6-7H2,(H,28,29)(H,30,31)(H2,23,24,32)