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

Systemtic Name: 3-[4-[(3-methoxyphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[4-[(3-methoxyphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-[4-[(3-methoxyphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-[4-[(3-methoxyphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-keto-3-(4-m-anisylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H17N3O4 MolecularWeight: 375.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O

InChI

InChI=1S/C21H17N3O4/c1-28-16-4-2-3-14(10-16)9-13-5-7-15(8-6-13)17-12-23-24-19(17)22-11-18(20(24)25)21(26)27/h2-8,10-12,23H,9H2,1H3,(H,26,27)