ethyl 7-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-6-nitro-1,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 7-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-6-nitro-1,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 7-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-6-nitro-1,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-6-nitro-1,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-6-nitro-1,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-6-nitro-1,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN2C1=NC=C(C2C3=C(CC(CC3=O)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CNN2C1=NC=C(C2C3=C(CC(CC3=O)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6/c1-4-27-16(24)9-7-19-20-14(10(21(25)26)8-18-15(9)20)13-11(22)5-17(2,3)6-12(13)23/h7-8,14,19,22H,4-6H2,1-3H3