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

Systemtic Name: diethyl 8-chloranyl-9-nitro-5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Openeye Name: diethyl 8-chloro-9-nitro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate CAS Name: 8-chloro-9-nitro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 8-chloro-9-nitro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Traditional Name: 8-chloro-5-keto-9-nitro-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester Formula: C16H13ClN4O7 MolecularWeight: 408.75002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN2C1=C3C=C(C(=CC3=NC2=O)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NN2C1=C3C=C(C(=CC3=NC2=O)Cl)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H13ClN4O7/c1-3-27-14(22)11-12(15(23)28-4-2)19-20-13(11)7-5-10(21(25)26)8(17)6-9(7)18-16(20)24/h5-6,19H,3-4H2,1-2H3