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

Systemtic Name: 5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-1-(phenylsulfonyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 1-(benzenesulfonyl)-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 1-(benzenesulfonyl)-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 1-besyl-2-keto-5-methyl-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C20H16N4O7S MolecularWeight: 456.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=CC(=O)N2S(=O)(=O)C3=CC=CC=C3)N1)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N2C(=CC(=O)N2S(=O)(=O)C3=CC=CC=C3)N1)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H16N4O7S/c1-12-18(20(26)27)19(13-6-5-7-14(10-13)24(28)29)22-16(21-12)11-17(25)23(22)32(30,31)15-8-3-2-4-9-15/h2-11,19,21H,1H3,(H,26,27)