propan-2-yl 5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-1-(propylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-1-(propylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-7-(3-nitrophenyl)-2-oxo-1-(propylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(3-nitrophenyl)-2-oxo-1-[oxo(propylamino)methyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-7-(3-nitrophenyl)-2-oxo-1-(propylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-keto-5-methyl-7-(3-nitrophenyl)-1-(propylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1C(=O)C=C2N1C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)N1C(=O)C=C2N1C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c1-5-9-22-21(29)25-17(27)11-16-23-13(4)18(20(28)32-12(2)3)19(24(16)25)14-7-6-8-15(10-14)26(30)31/h6-8,10-12,19,23H,5,9H2,1-4H3,(H,22,29)