diethyl 8-chloranyl-5-oxidanylidene-9-(phenylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate

Systemtic Name: diethyl 8-chloranyl-5-oxidanylidene-9-(phenylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Openeye Name: diethyl 8-chloro-5-oxo-9-(phenylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate CAS Name: 9-[[anilino(oxo)methyl]amino]-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 8-chloro-5-oxo-9-(phenylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Traditional Name: 8-chloro-5-keto-9-(phenylcarbamoylamino)-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester Formula: C23H20ClN5O6 MolecularWeight: 497.8878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN2C1=C3C=C(C(=CC3=NC2=O)Cl)NC(=O)NC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NN2C1=C3C=C(C(=CC3=NC2=O)Cl)NC(=O)NC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C23H20ClN5O6/c1-3-34-20(30)17-18(21(31)35-4-2)28-29-19(17)13-10-16(14(24)11-15(13)27-23(29)33)26-22(32)25-12-8-6-5-7-9-12/h5-11,28H,3-4H2,1-2H3,(H2,25,26,32)