5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-1-(phenylcarbonyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-1-(phenylcarbonyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 1-benzoyl-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 1-benzoyl-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 1-benzoyl-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 1-benzoyl-2-keto-5-methyl-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=CC(=O)N2C(=O)C3=CC=CC=C3)N1)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N2C(=CC(=O)N2C(=O)C3=CC=CC=C3)N1)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N4O6/c1-12-18(21(28)29)19(14-8-5-9-15(10-14)25(30)31)23-16(22-12)11-17(26)24(23)20(27)13-6-3-2-4-7-13/h2-11,19,22H,1H3,(H,28,29)