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

Systemtic Name: 3-bromanyl-2-methyl-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: 3-bromo-2-methyl-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 3-bromo-2-methyl-5-(3-nitrophenyl)-7-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 3-bromo-2-methyl-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 3-bromo-2-methyl-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate Formula: C14H8BrN4O4- MolecularWeight: 376.14172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1Br)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1Br)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H9BrN4O4/c1-7-12(15)13-16-10(6-11(14(20)21)18(13)17-7)8-3-2-4-9(5-8)19(22)23/h2-6H,1H3,(H,20,21)/p-1