4-[(5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid Openeye Name: 4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid CAS Name: 4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid IUPAC Name: 4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid Traditional Name: 4-[(5-keto-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=CC=N2)N(C1=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN2C(=CC=N2)N(C1=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H13N3O3/c18-13-6-8-17-12(5-7-15-17)16(13)9-10-1-3-11(4-2-10)14(19)20/h1-5,7H,6,8-9H2,(H,19,20)