3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-keto-3-(4-piperonylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=CC=C(C=C3)C4=CNN5C4=NC=C(C5=O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=CC=C(C=C3)C4=CNN5C4=NC=C(C5=O)C(=O)O

InChI

InChI=1S/C21H15N3O5/c25-20-16(21(26)27)9-22-19-15(10-23-24(19)20)14-4-1-12(2-5-14)7-13-3-6-17-18(8-13)29-11-28-17/h1-6,8-10,23H,7,11H2,(H,26,27)