3-[(5-oxidanylidene-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(5-oxidanylidene-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)carbonylamino]benzoic acid Openeye Name: 3-[(5-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]benzoic acid CAS Name: 3-[[oxo-(5-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]amino]benzoic acid IUPAC Name: 3-[(5-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]benzoic acid Traditional Name: 3-[(5-keto-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]benzoic acid Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N2C(=NC1=O)C(=CN2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C(N2C(=NC1=O)C(=CN2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H16N4O4/c25-17-10-16(19(26)22-14-8-4-7-13(9-14)20(27)28)24-18(23-17)15(11-21-24)12-5-2-1-3-6-12/h1-9,11,16,21H,10H2,(H,22,26)(H,27,28)