5-methyl-1-(2-methylpropanoyl)-7-(2-nitrophenyl)-2-oxidanylidene-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-1-(2-methylpropanoyl)-7-(2-nitrophenyl)-2-oxidanylidene-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-1-(2-methylpropanoyl)-7-(2-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-1-(2-methyl-1-oxopropyl)-7-(2-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-1-(2-methylpropanoyl)-7-(2-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 1-isobutyryl-2-keto-5-methyl-7-(2-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=CC(=O)N2C(=O)C(C)C)N1)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N2C(=CC(=O)N2C(=O)C(C)C)N1)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H18N4O6/c1-9(2)17(24)21-14(23)8-13-19-10(3)15(18(25)26)16(20(13)21)11-6-4-5-7-12(11)22(27)28/h4-9,16,19H,1-3H3,(H,25,26)