5,6-bis(4-methoxyphenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 5,6-bis(4-methoxyphenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5,6-bis(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5,6-bis(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 5,6-bis(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 7-keto-5,6-bis(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H17N3O5/c1-28-14-7-3-12(4-8-14)18-19(13-5-9-15(29-2)10-6-13)22-17-11-16(21(26)27)23-24(17)20(18)25/h3-11,23H,1-2H3,(H,26,27)