2-[6-ethanoyl-7-methyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid

Systemtic Name: 2-[6-ethanoyl-7-methyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid Openeye Name: 2-[6-acetyl-7-methyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid CAS Name: 2-[6-acetyl-7-methyl-2-(4-nitrophenyl)-5-pyrazolo[1,5-a]pyrimidinyl]benzoic acid IUPAC Name: 2-[6-acetyl-7-methyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid Traditional Name: 2-[6-acetyl-7-methyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4C(=O)O)C(=O)C

InChI

InChI=1S/C22H16N4O5/c1-12-20(13(2)27)21(16-5-3-4-6-17(16)22(28)29)23-19-11-18(24-25(12)19)14-7-9-15(10-8-14)26(30)31/h3-11H,1-2H3,(H,28,29)