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

Systemtic Name: diethyl 8-chloranyl-9-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]-5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Openeye Name: diethyl 8-chloro-9-[(2-ethoxy-2-oxo-ethyl)carbamoylamino]-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate CAS Name: 8-chloro-9-[[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]amino]-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 8-chloro-9-[(2-ethoxy-2-oxoethyl)carbamoylamino]-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Traditional Name: 8-chloro-9-[(2-ethoxy-2-keto-ethyl)carbamoylamino]-5-keto-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester Formula: C21H22ClN5O8 MolecularWeight: 507.88108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NC1=CC2=C3C(=C(NN3C(=O)N=C2C=C1Cl)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=O)NC1=CC2=C3C(=C(NN3C(=O)N=C2C=C1Cl)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H22ClN5O8/c1-4-33-14(28)9-23-20(31)24-13-7-10-12(8-11(13)22)25-21(32)27-17(10)15(18(29)34-5-2)16(26-27)19(30)35-6-3/h7-8,26H,4-6,9H2,1-3H3,(H2,23,24,31)