methyl 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-7-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid methyl ester Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=CC(=NN12)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=NC2=CC(=NN12)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6/c1-29-21(26)17-9-15(12-3-2-4-14(7-12)25(27)28)22-20-10-16(23-24(17)20)13-5-6-18-19(8-13)31-11-30-18/h2-10H,11H2,1H3